Geometry & MOs

Info

ID:

111963

PubChem CID:

50388929

Reduced:

F2O4N5C34H37 (1)

Stoich.:

A2B4C5D34E37 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-215.59

Dipole, Da:

2.08

IP(EA), eV:

 -8.89(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC(=CC=C4)F)C(=O)NC5CCCC5

DOS

IR

Vibrations