Geometry & MOs

Info

ID:	308568
PubChem CID:	126497049
Reduced:	ClN4O5C29H29 (1)
Stoich.:	AB4C5D29E29 (1)
Weight, g/mol:	713.306078
ΔH_f, kcal/mol:	-137.56
Dipole, Da:	3.54
IP(EA), eV:	-8.6(-0.38)
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-(hydroxymethyl)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

CC(C(=O)NC1=CC(=CC(=C1)CCl)COC2=C(C=C3C(=C2)NCC4CC5=CC=CC=C5N4C3=O)OC)NC=O

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

CC(C(=O)NC1=CC(=CC(=C1)CCl)COC2=C(C=C3C(=C2)NCC4CC5=CC=CC=C5N4C3=O)OC)NC=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):