Geometry & MOs

Info

ID:	311331
PubChem CID:	126590513
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	580.100381
ΔH_f, kcal/mol:	-89.9
Dipole, Da:	7.3
IP(EA), eV:	-9.1(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-amino-6-[2,2,2-trifluoro-1-[4-[4-(trifluoromethyl)pyridin-3-yl]phenyl]ethoxy]pyrimidin-4-yl]phenyl]methylsulfanylformic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1C2=C(C=CC(=C2)C)OC1(CN=[N+]=[N-])O

DOS

IR

Vibrations