Geometry & MOs

Info

ID:	167074
PubChem CID:	74776763
Reduced:	S2N3O4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	345.234217
ΔH_f, kcal/mol:	-155.17
Dipole, Da:	2.51
IP(EA), eV:	-8.88(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-7-aza-2-azoniaspiro[4.5]decan-6-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C

DOS

IR

Vibrations