Geometry & MOs

Info

ID:	169242
PubChem CID:	75079475
Reduced:	NO5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	536.85178
ΔH_f, kcal/mol:	-232.15
Dipole, Da:	9.02
IP(EA), eV:	-8.85(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-bromophenyl)-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCC=CC(=O)NC(CC1=C(C=C(C=C1)O)OC)C(=O)O

DOS

IR

Vibrations