Geometry & MOs

Info

ID:

113798

PubChem CID:

50458834

Reduced:

O4N5C38H41 (1)

Stoich.:

A4B5C38D41 (1)

Weight, g/mol:

635.290783

ΔHf, kcal/mol:

-100.13

Dipole, Da:

1.43

IP(EA), eV:

 -8.73(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations