Geometry & MOs

Info

ID:	423798
PubChem CID:	135120245
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	432.277678
ΔH_f, kcal/mol:	-20.21
Dipole, Da:	6.35
IP(EA), eV:	-9.26(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyl-4-phenylpiperidin-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=CSC(=N2)N)O)CC3=CC=NC=C3

DOS

IR

Vibrations