Geometry & MOs

Info

ID:	36970
PubChem CID:	8015487
Reduced:	BrFON3C19H22 (1)
Stoich.:	ABCD3E19F22 (1)
Weight, g/mol:	372.148535
ΔH_f, kcal/mol:	-21.61
Dipole, Da:	8.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757098
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-fluorobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations