Geometry & MOs

Info

ID:	19894
PubChem CID:	574690
Reduced:	ClNBr2O4H8C15 (1)
Stoich.:	ABC2D4E8F15 (1)
Weight, g/mol:	460.84881
ΔH_f, kcal/mol:	-32.33
Dipole, Da:	3.44
IP(EA), eV:	-10.12(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenyl)-3-(2,4-dibromophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=CC2=C(C=C(C=C2)Br)Br)C(=O)O

DOS

IR

Vibrations