Geometry & MOs

Info

ID:	183358
PubChem CID:	77011697
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	282.9415
ΔH_f, kcal/mol:	-162.04
Dipole, Da:	7.63
IP(EA), eV:	-9.03(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)OC(C)C)C=CC(=O)O

DOS

IR

Vibrations