Geometry & MOs

Info

ID:	358610
PubChem CID:	127296369
Reduced:	SN3O4C13H19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	351.071134
ΔH_f, kcal/mol:	-140.28
Dipole, Da:	5.81
IP(EA), eV:	-8.48(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCS(=O)CC2)C3CC3

DOS

IR

Vibrations