Geometry & MOs

Info

ID:	88773
PubChem CID:	49956682
Reduced:	ClSN2O3H23C25 (1)
Stoich.:	ABC2D3E23F25 (1)
Weight, g/mol:	475.156577
ΔH_f, kcal/mol:	-41.87
Dipole, Da:	6.36
IP(EA), eV:	-8.17(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations