Geometry & MOs

Info

ID:	298291
PubChem CID:	117648233
Reduced:	F2O3N7C27H37 (1)
Stoich.:	A2B3C7D27E37 (1)
Weight, g/mol:	376.040328
ΔH_f, kcal/mol:	-169.85
Dipole, Da:	6.96
IP(EA), eV:	-8.55(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3,5-difluoro-4-(4-prop-2-enoylsulfanylphenyl)phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

CCCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC(=C(N=C2)N3CCOCC3)F)C#N)F

DOS

IR

Vibrations