Geometry & MOs

Info

ID:

93353

PubChem CID:

49993854

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-178.87

Dipole, Da:

9.04

IP(EA), eV:

 -8.95(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NCC(C)C

DOS

IR

Vibrations