Geometry & MOs

Info

ID:

109401

PubChem CID:

50283016

Reduced:

N6O6C41H46 (1)

Stoich.:

A6B6C41D46 (1)

Weight, g/mol:

734.359197

ΔHf, kcal/mol:

-186.6

Dipole, Da:

2.12

IP(EA), eV:

 -8.38(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5OC)C

DOS

IR

Vibrations