Geometry & MOs

Info

ID:	44231
PubChem CID:	10502107
Reduced:	NO4C10H11 (2)
Stoich.:	AB4C10D11 (2)
Weight, g/mol:	418.083472
ΔH_f, kcal/mol:	-270.86
Dipole, Da:	2.99
IP(EA), eV:	-9.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl 3-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]\1[C@@H]([C@@H]2CN2/C1=C(/C(=O)OC)\NC(=O)OC)OC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations