Geometry & MOs

Info

ID:	207503
PubChem CID:	80406252
Reduced:	BrClO2N3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	311.067284
ΔH_f, kcal/mol:	8.43
Dipole, Da:	4.12
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-5-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(=O)NC2=C(C=CC(=C2)/C(=N\O)/N)Cl

DOS

IR

Vibrations