Geometry & MOs

Info

ID:	216455
PubChem CID:	85086260
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	270.183109
ΔH_f, kcal/mol:	-112.07
Dipole, Da:	4.15
IP(EA), eV:	-9.55(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-5-pent-2-enyl-1,3-dioxolane

Drug info:

PubChemData

Smile

CC(=O)SCC1CC1(C#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations