Geometry & MOs

Info

ID:

114022

PubChem CID:

50468207

Reduced:

N3O3C17H20 (2)

Stoich.:

A3B3C17D20 (2)

Weight, g/mol:

766.365425

ΔHf, kcal/mol:

-209.46

Dipole, Da:

7.55

IP(EA), eV:

 -8.79(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N)OC)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations