Geometry & MOs

Info

ID:	194729
PubChem CID:	78582685
Reduced:	BrFNO3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	401.06266
ΔH_f, kcal/mol:	-131.71
Dipole, Da:	1.93
IP(EA), eV:	-9.77(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 3-bromobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations