Geometry & MOs

Info

ID:	126839
PubChem CID:	50980873
Reduced:	SO2N5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	287.113073
ΔH_f, kcal/mol:	76.41
Dipole, Da:	3.31
IP(EA), eV:	-9.28(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxyphenyl)-3-(2H-tetrazol-5-ylmethyl)-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=CS1)NCC2=CC3=NON=C3C=C2

DOS

IR

Vibrations