Geometry & MOs

Info

ID:

95365

PubChem CID:

50008806

Reduced:

N6O6C29H38 (1)

Stoich.:

A6B6C29D38 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-239.09

Dipole, Da:

10.26

IP(EA), eV:

 -8.27(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(cyclohexanecarbonylamino)-3-methoxyanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C)OC

DOS

IR

Vibrations