Geometry & MOs

Info

ID:	149753
PubChem CID:	53789429
Reduced:	BrCl2N2O3H19C23 (1)
Stoich.:	AB2C2D3E19F23 (1)
Weight, g/mol:	231.012077
ΔH_f, kcal/mol:	-82.02
Dipole, Da:	5.39
IP(EA), eV:	-9.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chloroanilino)-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1NC(=O)NC(=O)C2=CC=CC=C2Cl)Cl)C)OC3=C(C=C(C=C3)Br)C

DOS

IR

Vibrations