Geometry & MOs

Info

ID:	88848
PubChem CID:	49957274
Reduced:	SN2O5C27H28 (1)
Stoich.:	AB2C5D27E28 (1)
Weight, g/mol:	448.162077
ΔH_f, kcal/mol:	-108.43
Dipole, Da:	11.44
IP(EA), eV:	-8.05(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)-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)OC)OC

DOS

IR

Vibrations