Geometry & MOs

Info

ID:	31246
PubChem CID:	855341
Reduced:	SN3O4H11C14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	314.083747
ΔH_f, kcal/mol:	-68.33
Dipole, Da:	9.43
IP(EA), eV:	-8.96(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(furan-2-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(C=C2N4C1=NN=C4SCC(=O)O)OCO3

DOS

IR

Vibrations