Geometry & MOs

Info

ID:

112713

PubChem CID:

50416430

Reduced:

O4N5C31H43 (1)

Stoich.:

A4B5C31D43 (1)

Weight, g/mol:

608.332233

ΔHf, kcal/mol:

-182.43

Dipole, Da:

7.89

IP(EA), eV:

 -8.69(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-methoxy-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC(C)C)C

DOS

IR

Vibrations