Geometry & MOs

Info

ID:	280577
PubChem CID:	103849970
Reduced:	BrNSO2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	247.980713
ΔH_f, kcal/mol:	-52.67
Dipole, Da:	2.56
IP(EA), eV:	-9.24(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorobenzaldehyde

Drug info:

PubChemData

Smile

CN(CC1=CSC(=C1)Br)C(=O)[C@H]2CCCO2

DOS

IR

Vibrations