Geometry & MOs

Info

ID:	298353
PubChem CID:	117648558
Reduced:	FO4N9C24H30 (1)
Stoich.:	AB4C9D24E30 (1)
Weight, g/mol:	428.111602
ΔH_f, kcal/mol:	-82.99
Dipole, Da:	10.18
IP(EA), eV:	-8.88(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](COC)NC1=C(C=C(C(=N1)NC2=CC(=C(N=C2)OC)N3C=CN=N3)C#N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations