Geometry & MOs

Info

ID:

95362

PubChem CID:

50008749

Reduced:

Cl2O4N5C26H31 (1)

Stoich.:

A2B4C5D26E31 (1)

Weight, g/mol:

590.321668

ΔHf, kcal/mol:

-161.72

Dipole, Da:

8.93

IP(EA), eV:

 -9.1(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations