Geometry & MOs

Info

ID:	145260
PubChem CID:	53488573
Reduced:	ClFSN2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-9.94
Dipole, Da:	5.44
IP(EA), eV:	-8.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=S)NC2=C(C=CC=C2Cl)C)F

DOS

IR

Vibrations