Geometry & MOs

Info

ID:

394369

PubChem CID:

135022861

Reduced:

S2O3N8H18C19 (1)

Stoich.:

A2B3C8D18E19 (1)

Weight, g/mol:

674.306412

ΔHf, kcal/mol:

33.44

Dipole, Da:

3.86

IP(EA), eV:

 -8.93(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl N-[2-[2-(1H-benzimidazol-2-yl)-3-[(1R)-5-[ethoxycarbonyl-(ethoxycarbonylamino)amino]cyclopent-2-en-1-yl]phenyl]cyclopent-3-en-1-yl]-N-(ethoxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NCC4=CC=NC=C4

DOS

IR

Vibrations