Geometry & MOs

Info

ID:	165043
PubChem CID:	74488614
Reduced:	SO2N4C25H31 (1)
Stoich.:	AB2C4D25E31 (1)
Weight, g/mol:	402.275667
ΔH_f, kcal/mol:	-9.06
Dipole, Da:	6.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752507
Charge, e:	1

Chem-info

IUPAC name:

8-(1-methoxypropan-2-yl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

C1CSCC1[NH+]2CCC3(CC2)C(=O)N(C(=O)N3CCC4=CC=CC=C4)CC5=CN=CC=C5

DOS

IR

Vibrations