Geometry & MOs

Info

ID:	78481
PubChem CID:	49693230
Reduced:	F2N2O2C21H22 (1)
Stoich.:	A2B2C2D21E22 (1)
Weight, g/mol:	380.076155
ΔH_f, kcal/mol:	-148.74
Dipole, Da:	4.96
IP(EA), eV:	-9.3(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)CC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations