Geometry & MOs

Info

ID:

94172

PubChem CID:

49998845

Reduced:

O4N5C32H45 (1)

Stoich.:

A4B5C32D45 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-185.42

Dipole, Da:

4.15

IP(EA), eV:

 -8.72(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(C)C

DOS

IR

Vibrations