Geometry & MOs

Info

ID:	382921
PubChem CID:	134974360
Reduced:	SO2H16C17 (2)
Stoich.:	AB2C16D17 (2)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	-1.13
Dipole, Da:	2.6
IP(EA), eV:	-8.32(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2E,7Z)-5-methoxy-4,6-dimethyldeca-2,7,9-trien-2-yl]-5-methyloxan-2-one

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2OCCOCCSC3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)SCCO1

DOS

IR

Vibrations