Geometry & MOs

Info

ID:	366078
PubChem CID:	127319409
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	325.098394
ΔH_f, kcal/mol:	-64.32
Dipole, Da:	5.01
IP(EA), eV:	-9.46(-1.19)
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-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations