Geometry & MOs

Info

ID:	32608
PubChem CID:	7846964
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-113.07
Dipole, Da:	4.09
IP(EA), eV:	-9.19(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC1)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations