Geometry & MOs

Info

ID:	228303
PubChem CID:	87563868
Reduced:	S2N3O4C12H15 (1)
Stoich.:	A2B3C4D12E15 (1)
Weight, g/mol:	327.083076
ΔH_f, kcal/mol:	-87.7
Dipole, Da:	2.46
IP(EA), eV:	-9.06(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-(1-nitrosoethylidene)-1H-pyrimidine

Drug info:

PubChemData

Smile

C1=CSC=C1C2=CN(N=N2)[C@@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S)CO)O

DOS

IR

Vibrations