Geometry & MOs

Info

ID:

190020

PubChem CID:

77942720

Reduced:

ClSN3O7C37H44 (1)

Stoich.:

ABC3D7E37F44 (1)

Weight, g/mol:

764.400981

ΔHf, kcal/mol:

-268.38

Dipole, Da:

3.52

IP(EA), eV:

 -8.67(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[1-[5-[4-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4-methylcyclohexen-1-yl]-1H-imidazol-2-yl]ethylamino]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)COC1=CC=CC(=C1)CCNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4NS(=O)(=O)C)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations