Geometry & MOs

Info

ID:	32606
PubChem CID:	7846962
Reduced:	SN2O4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	358.098728
ΔH_f, kcal/mol:	-104.29
Dipole, Da:	5.11
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(furan-2-ylmethylamino)-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