Geometry & MOs

Info

ID:	314674
PubChem CID:	126622685
Reduced:	BrClN2O2H4C8 (1)
Stoich.:	ABC2D2E4F8 (1)
Weight, g/mol:	366.078263
ΔH_f, kcal/mol:	-30.76
Dipole, Da:	3.88
IP(EA), eV:	-9.67(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-1-[3-(2-chlorophenyl)-2-fluoroanilino]-3-hydroxy-1-oxobutan-2-yl] carbamate

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1NC(=N2)C(=O)O)Cl)Br

DOS

IR

Vibrations