Geometry & MOs

Info

ID:	397617
PubChem CID:	135030474
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	346.99795
ΔH_f, kcal/mol:	-51.53
Dipole, Da:	3.4
IP(EA), eV:	-9.45(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(2-bromoethylsulfanyl)-3-phenyl-2H-isoindol-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=CN=C1C(C)C)C2=CC=C(C=C2)C

DOS

IR

Vibrations