Geometry & MOs

Info

ID:

114958

PubChem CID:

50503390

Reduced:

ClO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-139.04

Dipole, Da:

7.36

IP(EA), eV:

 -9.08(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[(3-fluoro-4-methylphenyl)carbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC(C)C

DOS

IR

Vibrations