Geometry & MOs

Info

ID:	124355
PubChem CID:	50880190
Reduced:	OSCl2N4H18C19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	305.96583
ΔH_f, kcal/mol:	20.0
Dipole, Da:	5.94
IP(EA), eV:	-8.5(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-bromo-5-chloro-2-ethoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1NC(=O)C3=CC(=C(C=C3)Cl)Cl)C)SC(=N2)NN=C(C)C

DOS

IR

Vibrations