Geometry & MOs

Info

ID:

94853

PubChem CID:

50004339

Reduced:

Cl2O4N5C29H37 (1)

Stoich.:

A2B4C5D29E37 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-178.26

Dipole, Da:

9.16

IP(EA), eV:

 -8.81(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamidoanilino)-2-oxoethyl]-1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations