Geometry & MOs

Info

ID:	73783
PubChem CID:	48420424
Reduced:	SN4O5H14C15 (1)
Stoich.:	AB4C5D14E15 (1)
Weight, g/mol:	364.084141
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	2.48
IP(EA), eV:	-10.48(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

C1CC1N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCCN4C=NC=N4

DOS

IR

Vibrations