Geometry & MOs

Info

ID:	312936
PubChem CID:	126610172
Reduced:	SO2N7H13C17 (1)
Stoich.:	AB2C7D13E17 (1)
Weight, g/mol:	264.068097
ΔH_f, kcal/mol:	149.12
Dipole, Da:	3.43
IP(EA), eV:	-9.3(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(6-methoxypyridin-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)[N+](=O)[O-])C3=NC(=NN3)SCC4=NC=NN4

DOS

IR

Vibrations