Geometry & MOs

Info

ID:	68435
PubChem CID:	46508401
Reduced:	SF2N3O3C18H27 (1)
Stoich.:	AB2C3D3E18F27 (1)
Weight, g/mol:	484.203193
ΔH_f, kcal/mol:	-219.94
Dipole, Da:	6.66
IP(EA), eV:	-9.13(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(C)NC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations