Geometry & MOs

Info

ID:	56519
PubChem CID:	17436058
Reduced:	SN4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	423.041995
ΔH_f, kcal/mol:	105.96
Dipole, Da:	2.73
IP(EA), eV:	-8.7(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=NC=NC4=C3SC=C4

DOS

IR

Vibrations