Geometry & MOs

Info

ID:	69119
PubChem CID:	46519072
Reduced:	SF3N7H16C17 (1)
Stoich.:	AB3C7D16E17 (1)
Weight, g/mol:	352.060567
ΔH_f, kcal/mol:	-49.54
Dipole, Da:	3.72
IP(EA), eV:	-9.01(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC=CC(=N3)C(F)(F)F

DOS

IR

Vibrations