Geometry & MOs

Info

ID:	54152
PubChem CID:	14720409
Reduced:	ClSN5O7C30H44 (1)
Stoich.:	ABC5D7E30F44 (1)
Weight, g/mol:	617.28832
ΔH_f, kcal/mol:	-301.42
Dipole, Da:	5.97
IP(EA), eV:	-9.65(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2R)-1-[[(2S)-1-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-6-[(4-methylphenyl)sulfonylamino]-1-oxohexan-2-yl]carbamate

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

CC1=CC=C(C=C1)S(=O)(=O)NCCCC[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C=O)NC(=O)OC.Cl

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

CC1=CC=C(C=C1)S(=O)(=O)NCCCC[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C=O)NC(=O)OC.Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):