Geometry & MOs

Info

ID:	143115
PubChem CID:	53149131
Reduced:	ClO2N6H13C17 (1)
Stoich.:	AB2C6D13E17 (1)
Weight, g/mol:	361.126026
ΔH_f, kcal/mol:	34.23
Dipole, Da:	4.96
IP(EA), eV:	-9.57(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)CN2C3=C(N=CC=C3)N4C=NN=C4C2=O)Cl

DOS

IR

Vibrations