Geometry & MOs

Info

ID:	391250
PubChem CID:	135003865
Reduced:	ClSN2O2H19C26 (1)
Stoich.:	ABC2D2E19F26 (1)
Weight, g/mol:	269.089937
ΔH_f, kcal/mol:	35.3
Dipole, Da:	5.18
IP(EA), eV:	-8.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 5-O-methyl 2-acetyloxy-2-cyano-4-methylidenepentanedioate

Drug info:

PubChemData

Smile

C1CN([C@](C2=C1C(=CC=C2)Cl)(CC3=CSC4=CC=CC=C43)C#N)C(=O)OC5=CC=CC=C5

DOS

IR

Vibrations