Geometry & MOs

Info

ID:	32616
PubChem CID:	7846981
Reduced:	SN2O3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	408.075548
ΔH_f, kcal/mol:	-91.37
Dipole, Da:	2.5
IP(EA), eV:	-9.07(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations