Geometry & MOs

Info

ID:	154474
PubChem CID:	56313917
Reduced:	FN2O2C23H25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	454.153798
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	5.41
IP(EA), eV:	-8.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)sulfonyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)/C=C/C1=CC=C(C=C1)N2CCCC2=O)C3=CC=CC=C3F

DOS

IR

Vibrations