Geometry & MOs

Info

ID:	159103
PubChem CID:	57260158
Reduced:	SCl2N2O2C19H26 (1)
Stoich.:	AB2C2D2E19F26 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-105.16
Dipole, Da:	2.79
IP(EA), eV:	-9.05(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3-nitroso-2-oxo-1,3,6,7,8,9-hexahydrobenzo[g]indole-5-sulfonamide

Drug info:

PubChemData

Smile

C1C[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2N(C1)S(=O)(=O)CCCCl)C=CC(=C4)Cl

DOS

IR

Vibrations