Geometry & MOs

Info

ID:	352747
PubChem CID:	127283836
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	323.076219
ΔH_f, kcal/mol:	-28.32
Dipole, Da:	7.63
IP(EA), eV:	-8.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(1-oxo-1,4-thiazinan-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)CN3CCS(=O)CC3)C=C1

DOS

IR

Vibrations