Geometry & MOs

Info

ID:	370837
PubChem CID:	127341078
Reduced:	N2S2O5C16H28 (1)
Stoich.:	A2B2C5D16E28 (1)
Weight, g/mol:	353.086784
ΔH_f, kcal/mol:	-226.81
Dipole, Da:	5.05
IP(EA), eV:	-9.9(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(2-methyl-1,1-dioxo-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

CC1CN(CCS1(=O)=O)CC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations