Geometry & MOs

Info

ID:	370824
PubChem CID:	127340960
Reduced:	NOSC7H11 (2)
Stoich.:	ABCD7E11 (2)
Weight, g/mol:	284.130697
ΔH_f, kcal/mol:	-69.75
Dipole, Da:	6.48
IP(EA), eV:	-9.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,4-thiazinane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)CC2=CSC(=N2)C3CCCC3

DOS

IR

Vibrations