Geometry & MOs

Info

ID:

95630

PubChem CID:

50010832

Reduced:

O4N5C28H37 (1)

Stoich.:

A4B5C28D37 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-161.2

Dipole, Da:

11.35

IP(EA), eV:

 -8.87(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations