Geometry & MOs

Info

ID:

93560

PubChem CID:

49995518

Reduced:

N5O6C34H45 (1)

Stoich.:

A5B6C34D45 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-246.49

Dipole, Da:

3.79

IP(EA), eV:

 -8.36(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[2-[2-methyl-6-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations