Geometry & MOs

Info

ID:	25773
PubChem CID:	630522
Reduced:	O4C23H24 (1)
Stoich.:	A4B23C24 (1)
Weight, g/mol:	590.131069
ΔH_f, kcal/mol:	-86.88
Dipole, Da:	2.95
IP(EA), eV:	-8.53(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2,10-bis[(2,2,2-trifluoroacetyl)amino]-5-[(2,2,2-trifluoroacetyl)oxymethyl]undec-5-enedioate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)OC

DOS

IR

Vibrations