Geometry & MOs

Info

ID:

92633

PubChem CID:

49988622

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-179.42

Dipole, Da:

10.45

IP(EA), eV:

 -8.7(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-[(4-fluorobenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC(C)C4=CC=CC=C4

DOS

IR

Vibrations