Geometry & MOs

Info

ID:	325016
PubChem CID:	126679238
Reduced:	ON3H29C48 (1)
Stoich.:	AB3C29D48 (1)
Weight, g/mol:	287.952713
ΔH_f, kcal/mol:	200.21
Dipole, Da:	2.92
IP(EA), eV:	-7.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trifluoromethylsulfonyl 3,3,3-trifluoro-2-formylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)C8=C(N7C9=CC=CC=C9)C=CC1=C8OC3=CC=CC=C13)C1=CC=CC=C12

DOS

IR

Vibrations