Geometry & MOs

Info

ID:	400031
PubChem CID:	135044678
Reduced:	SN3O3C12H21 (1)
Stoich.:	AB3C3D12E21 (1)
Weight, g/mol:	273.069774
ΔH_f, kcal/mol:	-86.58
Dipole, Da:	2.45
IP(EA), eV:	-9.11(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-ethoxy-(4-methyl-6-phenyl-2-sulfanylidenepyrimidin-5-ylidene)methanolate

Drug info:

PubChemData

Smile

CCC1(OC2[C@H](O[C@@H](C2O1)SCC)CN=[N+]=[N-])CC

DOS

IR

Vibrations