Geometry & MOs

Info

ID:	121930
PubChem CID:	50786693
Reduced:	S2O3N4C15H16 (1)
Stoich.:	A2B3C4D15E16 (1)
Weight, g/mol:	358.029125
ΔH_f, kcal/mol:	-37.14
Dipole, Da:	4.14
IP(EA), eV:	-9.02(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3-chlorophenyl)methylsulfanyl]-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CSC1=NNC(=O)C2=CC(=NN21)C3=CC=CS3

DOS

IR

Vibrations