Geometry & MOs

Info

ID:	445603
PubChem CID:	135268453
Reduced:	SO4N6C25H28 (1)
Stoich.:	AB4C6D25E28 (1)
Weight, g/mol:	327.144613
ΔH_f, kcal/mol:	-51.01
Dipole, Da:	9.59
IP(EA), eV:	-8.95(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-1,1-difluoro-2-(4-fluoro-2,5-dimethylphenyl)-6-methoxy-3-methyl-6-(methylideneamino)hexa-3,5-dien-2-ol

Drug info:

PubChemData

Smile

CC(COS(=O)(=O)C)(C1=CN=C(C=N1)NCCNC2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4)O

DOS

IR

Vibrations