Geometry & MOs

Info

ID:	190584
PubChem CID:	78024105
Reduced:	SN2F3O4C18H19 (1)
Stoich.:	AB2C3D4E18F19 (1)
Weight, g/mol:	462.213027
ΔH_f, kcal/mol:	-254.08
Dipole, Da:	4.13
IP(EA), eV:	-9.22(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[[4,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]ethyl]benzoic acid

Drug info:

PubChemData

Smile

C1CCOC(C1)OC2C=NC(=NC2=O)SCC3=CC=CC=C3OCC(F)(F)F

DOS

IR

Vibrations