Geometry & MOs

Info

ID:	157357
PubChem CID:	56423117
Reduced:	SN2O7C16H16 (1)
Stoich.:	AB2C7D16E16 (1)
Weight, g/mol:	353.048857
ΔH_f, kcal/mol:	-143.74
Dipole, Da:	6.39
IP(EA), eV:	-8.94(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=C3C(=CC=C2)OCCO3)[N+](=O)[O-]

DOS

IR

Vibrations