Geometry & MOs

Info

ID:	143263
PubChem CID:	53175986
Reduced:	ClSN4O4C15H15 (1)
Stoich.:	ABC4D4E15F15 (1)
Weight, g/mol:	423.134282
ΔH_f, kcal/mol:	-82.27
Dipole, Da:	7.73
IP(EA), eV:	-8.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[2-(4-fluorophenyl)-4-oxo-3a,5-dihydro-1H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC(=CN2C=N1)S(=O)(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations