Geometry & MOs

Info

ID:	32615
PubChem CID:	7846977
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	410.166414
ΔH_f, kcal/mol:	-98.4
Dipole, Da:	4.5
IP(EA), eV:	-9.38(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)OC(=O)CCC1=NC2=CC=CC=C2S1

DOS

IR

Vibrations