Geometry & MOs

Info

ID:

114115

PubChem CID:

50472354

Reduced:

O5N6C39H50 (1)

Stoich.:

A5B6C39D50 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-191.3

Dipole, Da:

5.16

IP(EA), eV:

 -8.75(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-fluoro-3-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations