Geometry & MOs

Info

ID:	32607
PubChem CID:	7846963
Reduced:	SN2O4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-101.3
Dipole, Da:	1.84
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CO1)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations