Geometry & MOs

Info

ID:	134774
PubChem CID:	51754075
Reduced:	N3O4C32H49 (1)
Stoich.:	A3B4C32D49 (1)
Weight, g/mol:	464.303893
ΔH_f, kcal/mol:	-195.25
Dipole, Da:	5.76
IP(EA), eV:	-9.14(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-hexyl-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](/C=C/CCC)C(=O)NC1CCCCC1)C(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations