Geometry & MOs

Info

ID:	121588
PubChem CID:	50774160
Reduced:	BrNSO3H22C25 (1)
Stoich.:	ABCD3E22F25 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-23.07
Dipole, Da:	4.78
IP(EA), eV:	-8.49(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-4-(4-methoxyphenyl)piperidine-2,6-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=O)N(C2C3=CC=CC=C3Br)CC4=CC=C(C=C4)SC)O

DOS

IR

Vibrations