Geometry & MOs

Info

ID:	319702
PubChem CID:	126657048
Reduced:	NOSH27C42 (1)
Stoich.:	ABCD27E42 (1)
Weight, g/mol:	334.034278
ΔH_f, kcal/mol:	312.07
Dipole, Da:	2.69
IP(EA), eV:	-7.74(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoropropyl 2,3-dimethyl-3-methylsulfanylcarbothioylsulfanylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(C2=CC=CC=C2)(C3=CC#CC=C3)C4=CC5=C(C=C4)OC6=C5C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97

DOS

IR

Vibrations