Geometry & MOs

Info

ID:

143644

PubChem CID:

53241631

Reduced:

ClNOC8H12 (2)

Stoich.:

ABCD8E12 (2)

Weight, g/mol:

852.270607

ΔHf, kcal/mol:

-78.08

Dipole, Da:

3.63

IP(EA), eV:

 -8.73(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-2-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2R)-2-acetamido-2-(2-chlorophenyl)acetyl]-4-methylidenepyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-(2-chlorophenyl)-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCCCC(=O)NO)N(CCCl)CCCl

DOS

IR

Vibrations