Geometry & MOs

Info

ID:	196184
PubChem CID:	78793725
Reduced:	S2O3N5H11C13 (1)
Stoich.:	A2B3C5D11E13 (1)
Weight, g/mol:	355.07391
ΔH_f, kcal/mol:	12.95
Dipole, Da:	8.1
IP(EA), eV:	-9.53(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-phenyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)N3C=NN=N3

DOS

IR

Vibrations