Geometry & MOs

Info

ID:

103755

PubChem CID:

50072762

Reduced:

O4N5C36H45 (1)

Stoich.:

A4B5C36D45 (1)

Weight, g/mol:

643.336984

ΔHf, kcal/mol:

-146.5

Dipole, Da:

4.91

IP(EA), eV:

 -8.7(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations