Geometry & MOs

Info

ID:	361774
PubChem CID:	127304621
Reduced:	S2N3O3C13H19 (1)
Stoich.:	A2B3C3D13E19 (1)
Weight, g/mol:	382.1021
ΔH_f, kcal/mol:	-96.3
Dipole, Da:	4.55
IP(EA), eV:	-8.73(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-(1,1-dioxo-1,4-thiazepan-4-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NC=CS2)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations