Geometry & MOs

Info

ID:	266558
PubChem CID:	103570847
Reduced:	ClSN3O3C8H10 (1)
Stoich.:	ABC3D3E8F10 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-73.76
Dipole, Da:	5.97
IP(EA), eV:	-10.1(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-ethylpyrazol-4-yl)-hydroxymethyl]-2,4-dihydrochromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CC(=O)N2S(=O)(=O)Cl

DOS

IR

Vibrations