Geometry & MOs

Info

ID:	335138
PubChem CID:	127253999
Reduced:	ClNO5C32H48 (1)
Stoich.:	ABC5D32E48 (1)
Weight, g/mol:	390.073953
ΔH_f, kcal/mol:	-241.89
Dipole, Da:	4.84
IP(EA), eV:	-8.8(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCNC1=CC(=O)[C@@]2([C@@H](C1)C)C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl

DOS

IR

Vibrations