Geometry & MOs

Info

ID:	421978
PubChem CID:	135116951
Reduced:	SO4N6C15H20 (1)
Stoich.:	AB4C6D15E20 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-70.46
Dipole, Da:	7.52
IP(EA), eV:	-9.95(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=NC(=CC=C2)N3C=NN=C3

DOS

IR

Vibrations