Geometry & MOs

Info

ID:	226144
PubChem CID:	87325898
Reduced:	O7C18H34 (1)
Stoich.:	A7B18C34 (1)
Weight, g/mol:	510.002643
ΔH_f, kcal/mol:	-318.84
Dipole, Da:	6.03
IP(EA), eV:	-10.44(0.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(3-anilino-2,6-dinitrophenyl)-benzyl-lambda3-chloranyl]-2,2-dichloroacetate

Drug info:

PubChemData

Smile

C=CC(C(CCCO)(CO)CO)OC(C=C)C(CCCO)(CO)CO

DOS

IR

Vibrations