Geometry & MOs

Info

ID:

109930

PubChem CID:

50301749

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-188.93

Dipole, Da:

5.35

IP(EA), eV:

 -8.64(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)NC(=O)C)C(=O)N(C)C

DOS

IR

Vibrations