Geometry & MOs

Info

ID:

105430

PubChem CID:

50107189

Reduced:

O5N6C30H40 (1)

Stoich.:

A5B6C30D40 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-207.85

Dipole, Da:

4.87

IP(EA), eV:

 -9.0(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-methyl-1-[2-(2-methylpropylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations