Geometry & MOs

Info

ID:	55824
PubChem CID:	17396618
Reduced:	FNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	361.098394
ΔH_f, kcal/mol:	-124.58
Dipole, Da:	5.07
IP(EA), eV:	-8.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)CCNC(=O)CSC3=CC=C(C=C3)F

DOS

IR

Vibrations