Geometry & MOs

Info

ID:	32609
PubChem CID:	7846965
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	396.081364
ΔH_f, kcal/mol:	-112.25
Dipole, Da:	2.81
IP(EA), eV:	-9.26(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 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