Geometry & MOs

Info

ID:	54394
PubChem CID:	17137236
Reduced:	SO3N5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	337.161269
ΔH_f, kcal/mol:	45.36
Dipole, Da:	10.67
IP(EA), eV:	-9.38(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-phenyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations