Geometry & MOs

Info

ID:	34065
PubChem CID:	7889655
Reduced:	BrNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	411.91327
ΔH_f, kcal/mol:	-96.48
Dipole, Da:	3.1
IP(EA), eV:	-9.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 4-bromobenzoate

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations