Geometry & MOs

Info

ID:

93021

PubChem CID:

49991025

Reduced:

O4N5C36H49 (1)

Stoich.:

A4B5C36D49 (1)

Weight, g/mol:

603.378455

ΔHf, kcal/mol:

-187.26

Dipole, Da:

12.12

IP(EA), eV:

 -8.83(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCC5)C

DOS

IR

Vibrations