Geometry & MOs

Info

ID:

116856

PubChem CID:

50578302

Reduced:

ClO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-181.1

Dipole, Da:

8.62

IP(EA), eV:

 -8.96(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-6-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC(=C2NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations