Geometry & MOs

Info

ID:	170098
PubChem CID:	75197103
Reduced:	ClNSF3O3H7C15 (1)
Stoich.:	ABCD3E3F7G15 (1)
Weight, g/mol:	347.080299
ΔH_f, kcal/mol:	-182.93
Dipole, Da:	3.29
IP(EA), eV:	-10.12(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)sulfonyl-7-fluoro-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)C2C=NC3=CC(=C(C=C3C2=O)F)Cl)F)F

DOS

IR

Vibrations