Geometry & MOs

Info

ID:	222369
PubChem CID:	85297282
Reduced:	SO4C24H28 (1)
Stoich.:	AB4C24D28 (1)
Weight, g/mol:	412.282489
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	1.82
IP(EA), eV:	-8.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-(10-acetyloxyundecyl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)CCC(=C)SC3=CC=CC=C3)OCC4=CC=CC=C4)C

DOS

IR

Vibrations