Geometry & MOs

Info

ID:

114327

PubChem CID:

50478973

Reduced:

O5N6C42H48 (1)

Stoich.:

A5B6C42D48 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-164.43

Dipole, Da:

11.16

IP(EA), eV:

 -8.61(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations