Geometry & MOs

Info

ID:	399308
PubChem CID:	135039578
Reduced:	O4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	253.009491
ΔH_f, kcal/mol:	-191.99
Dipole, Da:	7.52
IP(EA), eV:	-10.23(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-1-[(2Z)-2-ethylidene-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CCCCCC1CC(OCO1)CC2CC=CC(=O)O2

DOS

IR

Vibrations