Geometry & MOs

Info

ID:

104911

PubChem CID:

50105922

Reduced:

O4N5C34H41 (1)

Stoich.:

A4B5C34D41 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-128.25

Dipole, Da:

6.25

IP(EA), eV:

 -8.58(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-methylpropanoylamino)phenyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C)NC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations