Geometry & MOs

Info

ID:	61855
PubChem CID:	26714233
Reduced:	BrClSN2O4C19H20 (1)
Stoich.:	ABCD2E4F19G20 (1)
Weight, g/mol:	453.94866
ΔH_f, kcal/mol:	-120.91
Dipole, Da:	5.89
IP(EA), eV:	-9.4(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations