Geometry & MOs

Info

ID:	345127
PubChem CID:	127268887
Reduced:	FNS2O4C16H22 (1)
Stoich.:	ABC2D4E16F22 (1)
Weight, g/mol:	375.114044
ΔH_f, kcal/mol:	-197.12
Dipole, Da:	7.59
IP(EA), eV:	-9.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(4-methoxyphenyl)pyrrolidine

Drug info:

PubChemData

Smile

C1CC(C1)(CNS(=O)(=O)C2CCS(=O)(=O)CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations