Geometry & MOs

Info

ID:	328728
PubChem CID:	126726943
Reduced:	SCl2N2F3O4C24H25 (1)
Stoich.:	AB2C2D3E4F24G25 (1)
Weight, g/mol:	536.191185
ΔH_f, kcal/mol:	-278.89
Dipole, Da:	5.42
IP(EA), eV:	-9.61(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC(=O)C1=C(C=C(C(=C1)C2CC2)OCC3(CCN(CC3)CC4=C(C(=CC(=C4)Cl)Cl)F)F)F

DOS

IR

Vibrations