Geometry & MOs

Info

ID:	226488
PubChem CID:	87457533
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	180.042259
ΔH_f, kcal/mol:	-15.82
Dipole, Da:	4.68
IP(EA), eV:	-8.28(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-O-ethyl 1-O-methyl hexa-2,4-diynedioate

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)/N=C/C1=NC=C(C=C1)OCC2CC2

DOS

IR

Vibrations