Geometry & MOs

Info

ID:	216477
PubChem CID:	85086293
Reduced:	SN2O4C11H18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	272.162374
ΔH_f, kcal/mol:	-184.08
Dipole, Da:	7.57
IP(EA), eV:	-8.86(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(=O)N2CC(CSCC(CN1C2=O)O)O

DOS

IR

Vibrations