Geometry & MOs

Info

ID:	251383
PubChem CID:	103103600
Reduced:	N3O4C12H21 (1)
Stoich.:	A3B4C12D21 (1)
Weight, g/mol:	343.01677
ΔH_f, kcal/mol:	-204.89
Dipole, Da:	9.73
IP(EA), eV:	-9.87(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-bromobenzoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)NC1CCCCC1C(=O)O

DOS

IR

Vibrations