Geometry & MOs

Info

ID:	416837
PubChem CID:	135090531
Reduced:	N2O3C18H32 (1)
Stoich.:	A2B3C18D32 (1)
Weight, g/mol:	340.091535
ΔH_f, kcal/mol:	-180.59
Dipole, Da:	5.89
IP(EA), eV:	-9.09(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-oxoethyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCNCC2)OC[C@@H]1O)NC(=O)C3CCCCCC3

DOS

IR

Vibrations