Geometry & MOs

Info

ID:	129353
PubChem CID:	51072349
Reduced:	SN2O4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	272.073182
ΔH_f, kcal/mol:	-168.21
Dipole, Da:	2.68
IP(EA), eV:	-9.21(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-indol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)CSC(C1=CC=CC=C1)C(=O)NC(=O)NC

DOS

IR

Vibrations