Geometry & MOs

Info

ID:	217298
PubChem CID:	85087577
Reduced:	FNO2C22H22 (1)
Stoich.:	ABC2D22E22 (1)
Weight, g/mol:	350.139924
ΔH_f, kcal/mol:	-91.35
Dipole, Da:	2.78
IP(EA), eV:	-9.08(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[2,2-dimethyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]hept-5-enoate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C2=C(CC3C4=C(CCN3CCF)C=CC=C42)C=C1)C(=O)C

DOS

IR

Vibrations