Geometry & MOs

Info

ID:	263865
PubChem CID:	103402725
Reduced:	N3O4C12H19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	347.016511
ΔH_f, kcal/mol:	-70.86
Dipole, Da:	5.5
IP(EA), eV:	-8.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

COCCOCCCOC\1=CC=CN/C1=C(\N)/N=O

DOS

IR

Vibrations