Geometry & MOs

Info

ID:	298350
PubChem CID:	117648486
Reduced:	FN5O6C25H36 (1)
Stoich.:	AB5C6D25E36 (1)
Weight, g/mol:	504.142902
ΔH_f, kcal/mol:	-295.09
Dipole, Da:	2.47
IP(EA), eV:	-8.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[4-[4-[4-(2-prop-2-enoylsulfanylethoxy)phenyl]phenyl]phenoxy]ethyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

CCOC[C@H]([C@H](C)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC(=CC(=C2)OC)OC)C(=O)N)F

DOS

IR

Vibrations