Geometry & MOs

Info

ID:	143068
PubChem CID:	53142249
Reduced:	ClOSF3N4C18H18 (1)
Stoich.:	ABCD3E4F18G18 (1)
Weight, g/mol:	416.068544
ΔH_f, kcal/mol:	-162.86
Dipole, Da:	2.91
IP(EA), eV:	-9.13(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=NC=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations