Geometry & MOs

Info

ID:	143067
PubChem CID:	53142248
Reduced:	ClSO2N4C25H27 (1)
Stoich.:	ABC2D4E25F27 (1)
Weight, g/mol:	430.084195
ΔH_f, kcal/mol:	-14.26
Dipole, Da:	5.39
IP(EA), eV:	-8.51(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-piperidin-1-ylpyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC=CC(=N2)N3CCC(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations