Geometry & MOs

Info

ID:	32620
PubChem CID:	7846988
Reduced:	ClSN2O3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	410.166414
ΔH_f, kcal/mol:	-80.41
Dipole, Da:	5.94
IP(EA), eV:	-8.92(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations