Geometry & MOs

Info

ID:

112644

PubChem CID:

50414234

Reduced:

N3O3C17H24 (2)

Stoich.:

A3B3C17D24 (2)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-265.71

Dipole, Da:

4.63

IP(EA), eV:

 -7.98(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations