Geometry & MOs

Info

ID:	387730
PubChem CID:	134986620
Reduced:	NSC4H4 (2)
Stoich.:	ABC4D4 (2)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	97.18
Dipole, Da:	2.4
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate

Drug info:

PubChemData

Smile

C(S/C=C/C#N)CS/C=C/C#N

DOS

IR

Vibrations