Geometry & MOs

Info

ID:	184010
PubChem CID:	77101550
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	244.113316
ΔH_f, kcal/mol:	-134.85
Dipole, Da:	1.3
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-(oxan-4-ylsulfanyl)but-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCN1CCCOC(C1)C)C(=O)OC

DOS

IR

Vibrations