Geometry & MOs

Info

ID:	133693
PubChem CID:	51575770
Reduced:	N2O5H22C26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	4.31
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aR,5S,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5

DOS

IR

Vibrations