Geometry & MOs

Info

ID:	149598
PubChem CID:	53789272
Reduced:	NSC4O4H9 (1)
Stoich.:	ABC4D4E9 (1)
Weight, g/mol:	412.224974
ΔH_f, kcal/mol:	-187.16
Dipole, Da:	6.31
IP(EA), eV:	-11.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,7-dimethylocta-2,6-dienoxy)-3-hex-3-enoxy-7-hydroxychromen-2-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC(=O)O

DOS

IR

Vibrations