Geometry & MOs

Info

ID:	47015
PubChem CID:	10528930
Reduced:	NOH3C4 (6)
Stoich.:	ABC3D4 (6)
Weight, g/mol:	487.202859
ΔH_f, kcal/mol:	50.23
Dipole, Da:	3.2
IP(EA), eV:	-9.74(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-yl]-N-(2,2-diethoxyethyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)N2NCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations