Geometry & MOs

Info

ID:	313870
PubChem CID:	126618252
Reduced:	Cl2O2S2N3C8H9 (1)
Stoich.:	A2B2C2D3E8F9 (1)
Weight, g/mol:	283.093247
ΔH_f, kcal/mol:	-30.11
Dipole, Da:	4.26
IP(EA), eV:	-9.42(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-4-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)SC2=NC(=NC=C2Cl)Cl

DOS

IR

Vibrations