Geometry & MOs

Info

ID:	396889
PubChem CID:	135029394
Reduced:	ON2C19H20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	322.048424
ΔH_f, kcal/mol:	18.66
Dipole, Da:	4.69
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(4-azidosulfonylphenyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC(=C1)NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations