Geometry & MOs

Info

ID:	30823
PubChem CID:	841973
Reduced:	NOSC19H19 (1)
Stoich.:	ABCD19E19 (1)
Weight, g/mol:	232.05964
ΔH_f, kcal/mol:	-2.08
Dipole, Da:	3.26
IP(EA), eV:	-8.84(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,7R,7aS)-2-(1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)[C@H](C)NC(=O)C2=CSC3=CC=CC=C32

DOS

IR

Vibrations