Geometry & MOs

Info

ID:

114170

PubChem CID:

50473411

Reduced:

N5O5C34H41 (1)

Stoich.:

A5B5C34D41 (1)

Weight, g/mol:

585.295119

ΔHf, kcal/mol:

-177.05

Dipole, Da:

9.6

IP(EA), eV:

 -8.62(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamido-3-methoxyphenyl)-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4C)OC

DOS

IR

Vibrations