Geometry & MOs

Info

ID:

108047

PubChem CID:

50228058

Reduced:

O4N5C35H43 (1)

Stoich.:

A4B5C35D43 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-144.38

Dipole, Da:

4.63

IP(EA), eV:

 -8.9(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations