Geometry & MOs

Info

ID:

110632

PubChem CID:

50333304

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-225.1

Dipole, Da:

5.25

IP(EA), eV:

 -8.84(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations