Geometry & MOs

Info

ID:	185991
PubChem CID:	77374932
Reduced:	SiN3O6C18H28 (1)
Stoich.:	AB3C6D18E28 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-241.28
Dipole, Da:	3.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752713
Charge, e:	0

Chem-info

IUPAC name:

1-[methyl(sulfino)amino]-5-[2-[methyl(6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-ylmethyl)amino]ethyl]-2,3-dihydro-1H-isoindole

Drug info:

PubChemData

Smile

CC(=O)OCC1(C(CC(O1)(N2CCC(=O)NC2=O)[Si](C)C)OC(C)(C)C)C#N

DOS

IR

Vibrations