Geometry & MOs

Info

ID:	26565
PubChem CID:	652955
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	-115.35
Dipole, Da:	7.06
IP(EA), eV:	-9.37(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[[5-benzyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)C(=O)O

DOS

IR

Vibrations