Geometry & MOs

Info

ID:

97726

PubChem CID:

50034216

Reduced:

F4O5N6H38C39 (1)

Stoich.:

A4B5C6D38E39 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-322.78

Dipole, Da:

12.08

IP(EA), eV:

 -8.93(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations