Geometry & MOs

Info

ID:	143116
PubChem CID:	53149344
Reduced:	FSO2N3C18H20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	439.154133
ΔH_f, kcal/mol:	-91.39
Dipole, Da:	3.13
IP(EA), eV:	-9.57(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC(=O)NCC1=CSC(=N1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations