Geometry & MOs

Info

ID:	407111
PubChem CID:	135079349
Reduced:	BrFNO4C22H23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	385.168936
ΔH_f, kcal/mol:	-176.78
Dipole, Da:	3.26
IP(EA), eV:	-9.42(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipropan-2-yl 2-[2-(benzylideneamino)-4-fluorophenyl]propanedioate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C1=C(C=C(C=C1)F)N=CC2=CC=C(C=C2)Br)C(=O)OC(C)C

DOS

IR

Vibrations