Geometry & MOs

Info

ID:	298318
PubChem CID:	117648314
Reduced:	FO4N9C26H34 (1)
Stoich.:	AB4C9D26E34 (1)
Weight, g/mol:	402.039579
ΔH_f, kcal/mol:	-104.38
Dipole, Da:	4.32
IP(EA), eV:	-8.85(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-4-(2-methylprop-2-enoylsulfanyl)phenyl] 4-prop-2-enoylsulfanylbenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)NC(C3CC3)[C@H](C)NC(=O)OC(C)(C)C)N4C=CN=N4

DOS

IR

Vibrations