Geometry & MOs

Info

ID:	314626
PubChem CID:	126622493
Reduced:	BrOSC7H13 (1)
Stoich.:	ABCD7E13 (1)
Weight, g/mol:	468.204907
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	2.06
IP(EA), eV:	-9.09(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-5-morpholin-4-yl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1(COC1)CSCCBr

DOS

IR

Vibrations