Geometry & MOs

Info

ID:	282859
PubChem CID:	103942479
Reduced:	S2N4O4C11H14 (1)
Stoich.:	A2B4C4D11E14 (1)
Weight, g/mol:	194.049843
ΔH_f, kcal/mol:	-49.51
Dipole, Da:	1.83
IP(EA), eV:	-8.96(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-chlorophenyl)pent-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(S1)SC2=NNC(=O)N2C(C)C)[N+](=O)[O-])O

DOS

IR

Vibrations