Geometry & MOs

Info

ID:

90870

PubChem CID:

49972394

Reduced:

N2O2C13H18 (3)

Stoich.:

A2B2C13D18 (3)

Weight, g/mol:

716.426134

ΔHf, kcal/mol:

-262.6

Dipole, Da:

7.04

IP(EA), eV:

 -8.77(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-3-oxopropyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)OC

DOS

IR

Vibrations