Geometry & MOs

Info

ID:	88774
PubChem CID:	49956697
Reduced:	SN3O4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	477.135842
ΔH_f, kcal/mol:	-18.74
Dipole, Da:	6.64
IP(EA), eV:	-8.61(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC(=CC=C5)[N+](=O)[O-])C

DOS

IR

Vibrations