Geometry & MOs

Info

ID:	230853
PubChem CID:	87572146
Reduced:	FCl2N2S2O4H15C20 (1)
Stoich.:	AB2C2D2E4F15G20 (1)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-106.91
Dipole, Da:	6.67
IP(EA), eV:	-9.26(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethenyl 2-butoxy-3-oxobutanoate

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=CC(=C2)C(C(=O)NC3=NC=C(S3)Cl)OC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations