Geometry & MOs

Info

ID:	234653
PubChem CID:	92303242
Reduced:	NO6C22H27 (1)
Stoich.:	AB6C22D27 (1)
Weight, g/mol:	386.92925
ΔH_f, kcal/mol:	-254.27
Dipole, Da:	7.2
IP(EA), eV:	-9.36(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5R,6R,7aS)-5,6-dibromo-2-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@H](C(=O)O)NC(=O)[C@@H](C)OC1=CC(=CC2=C1C3=C(CCC3)C(=O)O2)C

DOS

IR

Vibrations