Geometry & MOs

Info

ID:	32610
PubChem CID:	7846966
Reduced:	N2S2O5C17H20 (1)
Stoich.:	A2B2C5D17E20 (1)
Weight, g/mol:	396.081364
ΔH_f, kcal/mol:	-172.48
Dipole, Da:	4.26
IP(EA), eV:	-9.17(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CN([C@@H]1CCS(=O)(=O)C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations