Geometry & MOs

Info

ID:	430027
PubChem CID:	135170084
Reduced:	FNO3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	265.080636
ΔH_f, kcal/mol:	-113.39
Dipole, Da:	3.53
IP(EA), eV:	-9.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(dimethylamino)-2-methyl-3-sulfosulfanylhepta-2,4-diene

Drug info:

PubChemData

Smile

C1COC[C@@H](N1C2=C(C=C(C=C2)C(=O)O)F)C3=CC=CC=C3

DOS

IR

Vibrations