Geometry & MOs

Info

ID:	18314
PubChem CID:	539599
Reduced:	O7C19H28 (1)
Stoich.:	A7B19C28 (1)
Weight, g/mol:	368.183503
ΔH_f, kcal/mol:	-301.6
Dipole, Da:	3.81
IP(EA), eV:	-10.09(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(7-acetyloxy-2,2-dimethyl-3a-prop-2-enyl-4,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl)-3-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC(=CC(=O)OC)CC1C(C2C(CO1)(OC(O2)(C)C)CC=C)OC(=O)C

DOS

IR

Vibrations