Geometry & MOs

Info

ID:	149072
PubChem CID:	53788743
Reduced:	S3C5H12O12 (1)
Stoich.:	A3B5C12D12 (1)
Weight, g/mol:	414.204239
ΔH_f, kcal/mol:	-503.54
Dipole, Da:	2.12
IP(EA), eV:	-11.64(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3,7-dimethylocta-2,6-dienoxy)-2-oxo-4-propan-2-yloxychromen-3-yl] acetate

Drug info:

PubChemData

Smile

CC(COS(=O)(=O)O)(COS(=O)(=O)O)COS(=O)(=O)O

DOS

IR

Vibrations