Geometry & MOs

Info

ID:	36386
PubChem CID:	8004871
Reduced:	N2O2S2H16C17 (1)
Stoich.:	A2B2C2D16E17 (1)
Weight, g/mol:	386.075885
ΔH_f, kcal/mol:	-7.2
Dipole, Da:	3.5
IP(EA), eV:	-8.5(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3CS2

DOS

IR

Vibrations