Geometry & MOs

Info

ID:

107620

PubChem CID:

50211051

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

521.300205

ΔHf, kcal/mol:

-205.56

Dipole, Da:

5.85

IP(EA), eV:

 -8.91(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)C)C

DOS

IR

Vibrations