Geometry & MOs

Info

ID:	230055
PubChem CID:	87569971
Reduced:	ClNO6C28H30 (1)
Stoich.:	ABC6D28E30 (1)
Weight, g/mol:	478.0295
ΔH_f, kcal/mol:	-179.32
Dipole, Da:	2.37
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-[2-[[1-[4-(2-bromo-2-chloroethenyl)phenyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate

Drug info:

PubChemData

Smile

CC(NCC(COC1=CC=C(C=C1)/C=C(/C2=CC(=CC=C2)Cl)\C(=O)OC)O)OC3=CC=CC=C3OC

DOS

IR

Vibrations