Geometry & MOs

Info

ID:	303542
PubChem CID:	124489880
Reduced:	BrN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	362.0266
ΔH_f, kcal/mol:	-123.54
Dipole, Da:	3.58
IP(EA), eV:	-8.69(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-amino-5-bromobenzoyl)amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(C=CC(=C2)Br)N

DOS

IR

Vibrations