Geometry & MOs

Info

ID:	308563
PubChem CID:	126497025
Reduced:	S2N3O11C23H35 (1)
Stoich.:	A2B3C11D23E35 (1)
Weight, g/mol:	791.283628
ΔH_f, kcal/mol:	-496.19
Dipole, Da:	7.13
IP(EA), eV:	-8.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[(2S)-1-[[(2S)-1-[3-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]-5-(methylsulfonyloxymethyl)anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-oxohexanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC(=CC(=C1)COS(=O)(=O)C)COS(=O)(=O)C)NC(=O)CCCCC(=O)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC(=CC(=C1)COS(=O)(=O)C)COS(=O)(=O)C)NC(=O)CCCCC(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):