Geometry & MOs

Info

ID:

100167

PubChem CID:

50058936

Reduced:

O4N5C36H37 (1)

Stoich.:

A4B5C36D37 (1)

Weight, g/mol:

621.275133

ΔHf, kcal/mol:

-93.59

Dipole, Da:

6.93

IP(EA), eV:

 -8.78(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4-fluorophenyl)carbamoyl]-6-methylphenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations