Geometry & MOs

Info

ID:	73776
PubChem CID:	48420398
Reduced:	O3N5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	406.094705
ΔH_f, kcal/mol:	-32.17
Dipole, Da:	5.55
IP(EA), eV:	-9.31(-0.96)
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-(oxolan-2-ylmethyl)-1,2-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC2=CC=CC(=C2)C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations