Geometry & MOs

Info

ID:	121514
PubChem CID:	50771842
Reduced:	S2O3N5H17C19 (1)
Stoich.:	A2B3C5D17E19 (1)
Weight, g/mol:	415.057295
ΔH_f, kcal/mol:	15.16
Dipole, Da:	3.94
IP(EA), eV:	-9.01(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-2-[(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)CSC2=NNC(=O)C3=CC(=NN32)C4=CC=CS4

DOS

IR

Vibrations