Geometry & MOs

Info

ID:	73718
PubChem CID:	48420080
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	366.136176
ΔH_f, kcal/mol:	-127.51
Dipole, Da:	4.46
IP(EA), eV:	-9.38(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)OC(=O)COC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations