Geometry & MOs

Info

ID:	314940
PubChem CID:	126623993
Reduced:	BrSN3O5C15H18 (1)
Stoich.:	ABC3D5E15F18 (1)
Weight, g/mol:	336.104084
ΔH_f, kcal/mol:	-172.16
Dipole, Da:	7.58
IP(EA), eV:	-9.32(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-3-hydroxy-2-(methylamino)butanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)Br)C(=N1)C(=O)NS(=O)(=O)C

DOS

IR

Vibrations