Geometry & MOs

Info

ID:	141630
PubChem CID:	52904534
Reduced:	ClN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	273.00006
ΔH_f, kcal/mol:	-71.02
Dipole, Da:	6.35
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-bromo-N-(2,4-dihydroxyphenyl)butanamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations