Geometry & MOs

Info

ID:

93175

PubChem CID:

49992211

Reduced:

O5N6C39H48 (1)

Stoich.:

A5B6C39D48 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-188.04

Dipole, Da:

9.12

IP(EA), eV:

 -8.81(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-fluoro-3-[(2-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations