Geometry & MOs

Info

ID:	79607
PubChem CID:	49829705
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	409.213875
ΔH_f, kcal/mol:	-128.41
Dipole, Da:	3.23
IP(EA), eV:	-9.01(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 8-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)-2-oxo-1-aza-8-azoniaspiro[4.5]decane-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3OC

DOS

IR

Vibrations