Geometry & MOs

Info

ID:	343913
PubChem CID:	127267089
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	323.093977
ΔH_f, kcal/mol:	-83.09
Dipole, Da:	1.26
IP(EA), eV:	-9.05(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methoxybenzoate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CSCC1=CC(=O)NC=C1

DOS

IR

Vibrations