Geometry & MOs

Info

ID:

105027

PubChem CID:

50106185

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-157.38

Dipole, Da:

6.46

IP(EA), eV:

 -8.82(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(2-methylpropanoylamino)phenyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)NC(=O)C(C)C

DOS

IR

Vibrations