Geometry & MOs

Info

ID:	54369
PubChem CID:	17137031
Reduced:	SN4O4C20H22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	293.083413
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	3.12
IP(EA), eV:	-8.45(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

COCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations