Geometry & MOs

Info

ID:	33492
PubChem CID:	7886722
Reduced:	NSO4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	369.114713
ΔH_f, kcal/mol:	-137.41
Dipole, Da:	6.46
IP(EA), eV:	-8.58(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethoxyphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)O

DOS

IR

Vibrations