Geometry & MOs

Info

ID:	133515
PubChem CID:	51538654
Reduced:	SN2O2C22H35 (1)
Stoich.:	AB2C2D22E35 (1)
Weight, g/mol:	391.241925
ΔH_f, kcal/mol:	-42.97
Dipole, Da:	3.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.845767
Charge, e:	1

Chem-info

IUPAC name:

(5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(thian-4-yl)-7-aza-2-azoniaspiro[4.5]decane

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CN2CCC[C@]3(C2)CC[NH+](C3)C4CCSCC4

DOS

IR

Vibrations