Geometry & MOs

Info

ID:

111282

PubChem CID:

50360982

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

718.360946

ΔHf, kcal/mol:

-216.85

Dipole, Da:

2.93

IP(EA), eV:

 -8.91(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)C(=O)NCC(C)C

DOS

IR

Vibrations