Geometry & MOs

Info

ID:	62492
PubChem CID:	26719797
Reduced:	ClFNO2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	342.137971
ΔH_f, kcal/mol:	-88.65
Dipole, Da:	3.12
IP(EA), eV:	-9.3(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-fluoroanilino)-3-oxopropyl]-4-oxo-4-phenylbutanamide

Drug info:

PubChemData

Smile

C1[C@H](OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations