Geometry & MOs

Info

ID:	86199
PubChem CID:	49882654
Reduced:	SN4O4C23H24 (1)
Stoich.:	AB4C4D23E24 (1)
Weight, g/mol:	373.091869
ΔH_f, kcal/mol:	-54.95
Dipole, Da:	4.24
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonylmethyl)-4-methyl-5-(1-phenylethylsulfanyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)SC2=NN=C(N2C3=CC=CC=C3)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations