Geometry & MOs

Info

ID:	63990
PubChem CID:	26759634
Reduced:	BrFNO4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	361.108086
ΔH_f, kcal/mol:	-170.85
Dipole, Da:	6.17
IP(EA), eV:	-9.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations