Geometry & MOs

Info

ID:	36868
PubChem CID:	8014021
Reduced:	BrN2O5C11H11 (1)
Stoich.:	AB2C5D11E11 (1)
Weight, g/mol:	300.051299
ΔH_f, kcal/mol:	-145.86
Dipole, Da:	4.15
IP(EA), eV:	-9.81(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(ethylcarbamoylamino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC(=O)COC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations