Geometry & MOs

Info

ID:	29098
PubChem CID:	831627
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	188.006264
ΔH_f, kcal/mol:	-116.1
Dipole, Da:	3.86
IP(EA), eV:	-8.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chlorothiophen-2-yl)butan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)NC(=O)C2=C(C=C(C=C2)C)C)N

DOS

IR

Vibrations