Geometry & MOs

Info

ID:	127664
PubChem CID:	51010502
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	438.00765
ΔH_f, kcal/mol:	-150.65
Dipole, Da:	9.0
IP(EA), eV:	-8.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3aS,4S,5S,7S,7aR)-5-hydroxy-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-2-yl]-2-iodobenzonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O

DOS

IR

Vibrations