Geometry & MOs

Info

ID:	334122
PubChem CID:	127252674
Reduced:	ClNSO7C21H24 (1)
Stoich.:	ABCD7E21F24 (1)
Weight, g/mol:	392.089603
ΔH_f, kcal/mol:	-261.15
Dipole, Da:	7.8
IP(EA), eV:	-8.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6-methylfuro[3,2-c]pyran-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC4CCS(=O)(=O)C4

DOS

IR

Vibrations