Geometry & MOs

Info

ID:	27166
PubChem CID:	817948
Reduced:	ON2H8C12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	322.088434
ΔH_f, kcal/mol:	34.54
Dipole, Da:	1.97
IP(EA), eV:	-9.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(4-chloroanilino)-2-hydroxypropyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2NC=O)C#N

DOS

IR

Vibrations