Geometry & MOs

Info

ID:	298320
PubChem CID:	117648316
Reduced:	FO3N8C31H37 (1)
Stoich.:	AB3C8D31E37 (1)
Weight, g/mol:	410.064651
ΔH_f, kcal/mol:	-56.26
Dipole, Da:	9.62
IP(EA), eV:	-8.1(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-prop-2-enoylsulfanylphenyl) (E)-3-[4-(2-methylprop-2-enoylsulfanyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=C(C=C1)OC)NC2=C(C=C(C(=N2)NC3=CC4=C(C=C3)N(N=C4N(C)C)C)C#N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations