Geometry & MOs

Info

ID:

112246

PubChem CID:

50399962

Reduced:

F3O5N6C39H45 (1)

Stoich.:

A3B5C6D39E45 (1)

Weight, g/mol:

758.279503

ΔHf, kcal/mol:

-326.62

Dipole, Da:

9.92

IP(EA), eV:

 -8.99(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4CCCCC4)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations