Geometry & MOs

Info

ID:	174030
PubChem CID:	75713324
Reduced:	N2O3C13H16 (2)
Stoich.:	A2B3C13D16 (2)
Weight, g/mol:	456.208279
ΔH_f, kcal/mol:	-148.16
Dipole, Da:	8.77
IP(EA), eV:	-9.62(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-(2-methylphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N(C)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations