Geometry & MOs

Info

ID:	228595
PubChem CID:	87565382
Reduced:	NSO3C5H13 (1)
Stoich.:	ABC3D5E13 (1)
Weight, g/mol:	365.059896
ΔH_f, kcal/mol:	-147.9
Dipole, Da:	3.94
IP(EA), eV:	-9.75(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)S)O.C(CO)N

DOS

IR

Vibrations