Geometry & MOs

Info

ID:

111511

PubChem CID:

50370559

Reduced:

BrO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-168.6

Dipole, Da:

6.72

IP(EA), eV:

 -8.79(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4)Br

DOS

IR

Vibrations