Geometry & MOs

Info

ID:	46035
PubChem CID:	10520663
Reduced:	OSN2Cl3H7C12 (1)
Stoich.:	ABC2D3E7F12 (1)
Weight, g/mol:	333.00006
ΔH_f, kcal/mol:	17.41
Dipole, Da:	3.9
IP(EA), eV:	-8.99(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-(4-methoxyphenyl)methylideneamino] 3-bromobenzoate

Drug info:

PubChemData

Smile

C1CSC2=NC(=C(N21)C=O)C3=C(C(=C(C=C3)Cl)Cl)Cl

DOS

IR

Vibrations