Geometry & MOs

Info

ID:	57584
PubChem CID:	22425580
Reduced:	FN2S2O4C14H15 (1)
Stoich.:	AB2C2D4E14F15 (1)
Weight, g/mol:	310.050905
ΔH_f, kcal/mol:	-182.48
Dipole, Da:	2.02
IP(EA), eV:	-8.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(2-methylphenyl)chromeno[2,3-c]pyrazol-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)SC)S(=O)(=O)C2=CC=C(C=C2)F)N

DOS

IR

Vibrations