Geometry & MOs

Info

ID:	32602
PubChem CID:	7846952
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	406.055419
ΔH_f, kcal/mol:	-72.89
Dipole, Da:	5.12
IP(EA), eV:	-9.27(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations