Geometry & MOs

Info

ID:	366710
PubChem CID:	127320239
Reduced:	NS2O5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	361.06538
ΔH_f, kcal/mol:	-176.85
Dipole, Da:	7.16
IP(EA), eV:	-8.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations