Geometry & MOs

Info

ID:	312990
PubChem CID:	126610640
Reduced:	O2S2N3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	323.093977
ΔH_f, kcal/mol:	6.68
Dipole, Da:	8.7
IP(EA), eV:	-8.85(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(2,3,4-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CSC1=NNC(=N1)C2=CC(=CC=C2)S(=O)C

DOS

IR

Vibrations