Geometry & MOs

Info

ID:	133468
PubChem CID:	51530978
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	357.102137
ΔH_f, kcal/mol:	-121.64
Dipole, Da:	8.79
IP(EA), eV:	-7.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-(4-ethoxyphenyl)-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CCN(CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2)C3=CC=CC(=C3)C

DOS

IR

Vibrations