Geometry & MOs

Info

ID:

113797

PubChem CID:

50458833

Reduced:

FO4N5C38H40 (1)

Stoich.:

AB4C5D38E40 (1)

Weight, g/mol:

631.315855

ΔHf, kcal/mol:

-152.22

Dipole, Da:

8.33

IP(EA), eV:

 -8.63(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=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)F

DOS

IR

Vibrations