Geometry & MOs

Info

ID:	205702
PubChem CID:	80137324
Reduced:	SO2N3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	271.07326
ΔH_f, kcal/mol:	53.87
Dipole, Da:	7.61
IP(EA), eV:	-9.07(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-fluoro-4-(3,4,5-trifluorophenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC(=C(C=C1)[N+](=O)[O-])C2=CC=CS2

DOS

IR

Vibrations