Geometry & MOs

Info

ID:	360951
PubChem CID:	127301782
Reduced:	N2S2O4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-70.84
Dipole, Da:	6.15
IP(EA), eV:	-9.65(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=NOC(=C2)C3=CC=CS3

DOS

IR

Vibrations