Geometry & MOs

Info

ID:	230252
PubChem CID:	87570522
Reduced:	N2S2O7C9H20 (1)
Stoich.:	A2B2C7D9E20 (1)
Weight, g/mol:	350.115424
ΔH_f, kcal/mol:	-319.67
Dipole, Da:	6.51
IP(EA), eV:	-10.1(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxychromen-2-one;4-propylchromen-2-one

Drug info:

PubChemData

Smile

CC(C)(CS(=O)(=O)OS(=O)(=O)C(C)(C)C(C(=O)O)N)N

DOS

IR

Vibrations