Geometry & MOs

Info

ID:	352435
PubChem CID:	127283523
Reduced:	S2O3N4C16H20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	203.098
ΔH_f, kcal/mol:	-63.01
Dipole, Da:	7.69
IP(EA), eV:	-8.39(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N=C1C)C)C2=NC(=C(S2)C(=O)N3CCS(=O)CC3)C

DOS

IR

Vibrations