Geometry & MOs

Info

ID:	447094
PubChem CID:	135280253
Reduced:	N2S2C3O3H8 (1)
Stoich.:	A2B2C3D3E8 (1)
Weight, g/mol:	258.064057
ΔH_f, kcal/mol:	-123.63
Dipole, Da:	4.68
IP(EA), eV:	-10.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-7-pyrazol-1-yl-4H-chromene-2-carboxylic acid

Drug info:

PubChemData

Smile

C(CS(=O)(=O)N)NC(=O)S

DOS

IR

Vibrations