Geometry & MOs

Info

ID:	435093
PubChem CID:	135180276
Reduced:	SF2N2O4H12C16 (1)
Stoich.:	AB2C2D4E12F16 (1)
Weight, g/mol:	381.095869
ΔH_f, kcal/mol:	-152.72
Dipole, Da:	5.07
IP(EA), eV:	-8.74(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-(methylamino)ethenyl]-2-methylsulfanylpyrimidine-4-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1F)C2=CC3=CN=C(N=C3C(=O)O2)SC)F)OC

DOS

IR

Vibrations