Geometry & MOs

Info

ID:	369888
PubChem CID:	127336639
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	296.167083
ΔH_f, kcal/mol:	-114.7
Dipole, Da:	6.03
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,4-thiazinane 1-oxide

Drug info:

PubChemData

Smile

CC1C(S(=O)CCN1CC2=CC(=O)N(C(=O)N2C)C)C

DOS

IR

Vibrations