Geometry & MOs

Info

ID:	44152
PubChem CID:	10501212
Reduced:	NSF3O4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	401.020321
ΔH_f, kcal/mol:	-300.08
Dipole, Da:	5.43
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)S[C@H](C2=CC=C(C=C2)OC(F)(F)F)[C@@H](C(=O)OC)O

DOS

IR

Vibrations