Geometry & MOs

Info

ID:	154246
PubChem CID:	56313654
Reduced:	FSN2O2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	375.232205
ΔH_f, kcal/mol:	-63.67
Dipole, Da:	3.55
IP(EA), eV:	-9.22(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)C(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations