Geometry & MOs

Info

ID:	26953
PubChem CID:	805003
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	297.093583
ΔH_f, kcal/mol:	-118.22
Dipole, Da:	2.92
IP(EA), eV:	-8.56(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-5-(4-methoxyphenyl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CC(C)C

DOS

IR

Vibrations