Geometry & MOs

Info

ID:

103568

PubChem CID:

50071795

Reduced:

N3O3C20H25 (2)

Stoich.:

A3B3C20D25 (2)

Weight, g/mol:

702.352969

ΔHf, kcal/mol:

-230.27

Dipole, Da:

8.89

IP(EA), eV:

 -8.26(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-methyl-3-[(2-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5CCCCC5

DOS

IR

Vibrations