Geometry & MOs

Info

ID:	31297
PubChem CID:	855541
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-19.81
Dipole, Da:	5.46
IP(EA), eV:	-8.27(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-5-(4-nitrophenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC2=CC(=C(C=C2)OC)OC)C(=S)NC

DOS

IR

Vibrations