Geometry & MOs

Info

ID:

176221

PubChem CID:

76012992

Reduced:

O14N16C69H118 (1)

Stoich.:

A14B16C69D118 (1)

Weight, g/mol:

658.405398

ΔHf, kcal/mol:

-712.14

Dipole, Da:

9.84

IP(EA), eV:

 -9.17(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-(2-carbamoylpyrrolidin-1-yl)-3-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]propyl]imidazol-1-yl]methyl hexadec-9-enyl carbonate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)CC)NC(=O)C(C(C)CC)NC(=O)C(CC(C)C)N

DOS

IR

Vibrations