Geometry & MOs

Info

ID:	382100
PubChem CID:	134973035
Reduced:	BrSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	363.121906
ΔH_f, kcal/mol:	-73.21
Dipole, Da:	3.92
IP(EA), eV:	-8.94(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,8R,9R,13S)-11,11-dimethyl-10,12-dioxa-3,5-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-trien-4-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(CCCBr)OOSC2=CC=CC=C2)O

DOS

IR

Vibrations