Geometry & MOs

Info

ID:	32629
PubChem CID:	7847000
Reduced:	ClSN3O3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-65.98
Dipole, Da:	3.55
IP(EA), eV:	-9.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations