Geometry & MOs

Info

ID:	180136
PubChem CID:	76583585
Reduced:	NSO2C8H10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	389.247855
ΔH_f, kcal/mol:	-138.8
Dipole, Da:	7.77
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)NC(C)COC2=CC=CC=C2C(=O)N

DOS

IR

Vibrations