Geometry & MOs

Info

ID:	305407
PubChem CID:	124807150
Reduced:	S2N3O3C14H19 (1)
Stoich.:	A2B3C3D14E19 (1)
Weight, g/mol:	344.257612
ΔH_f, kcal/mol:	-63.18
Dipole, Da:	6.82
IP(EA), eV:	-9.41(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7S)-7-[(4-methylpiperazin-1-yl)methyl]-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2[C@@H]3CCN([C@H]3CC2=O)S(=O)(=O)C4CC4

DOS

IR

Vibrations