Geometry & MOs

Info

ID:	124833
PubChem CID:	50897762
Reduced:	SN3O3C25H29 (1)
Stoich.:	AB3C3D25E29 (1)
Weight, g/mol:	303.066221
ΔH_f, kcal/mol:	-76.19
Dipole, Da:	10.39
IP(EA), eV:	-8.21(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,7S,7aS)-2-(3-chloro-4-methylphenyl)-7-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C)C)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations