Geometry & MOs

Info

ID:

120602

PubChem CID:

50736411

Reduced:

N3O3C16H21 (2)

Stoich.:

A3B3C16D21 (2)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-234.27

Dipole, Da:

10.62

IP(EA), eV:

 -8.68(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(dimethylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]-1-[2-[2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)N)OC

DOS

IR

Vibrations