Geometry & MOs

Info

ID:	121516
PubChem CID:	50771861
Reduced:	SO4N5H15C19 (1)
Stoich.:	AB4C5D15E19 (1)
Weight, g/mol:	405.125946
ΔH_f, kcal/mol:	-19.38
Dipole, Da:	6.2
IP(EA), eV:	-9.25(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-ethylphenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=O)C3=CC(=NN32)C4=CC=CO4

DOS

IR

Vibrations