Geometry & MOs

Info

ID:	304334
PubChem CID:	124537222
Reduced:	BrN2S2O3H21C24 (1)
Stoich.:	AB2C2D3E21F24 (1)
Weight, g/mol:	547.97277
ΔH_f, kcal/mol:	-30.48
Dipole, Da:	3.2
IP(EA), eV:	-8.98(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,9bS)-N-(4-bromophenyl)-4-(3,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(C)S(=O)(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations