Geometry & MOs

Info

ID:	194597
PubChem CID:	78559357
Reduced:	BrFNO4H15C18 (1)
Stoich.:	ABCD4E15F18 (1)
Weight, g/mol:	361.088099
ΔH_f, kcal/mol:	-154.82
Dipole, Da:	3.15
IP(EA), eV:	-9.96(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylanilino)-1-oxopropan-2-yl] 3-(3-chloro-4-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)CNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations