Geometry & MOs

Info

ID:	84230
PubChem CID:	49865078
Reduced:	ClSF3N6O6H20C23 (1)
Stoich.:	ABC3D6E6F20G23 (1)
Weight, g/mol:	456.099122
ΔH_f, kcal/mol:	-333.87
Dipole, Da:	6.45
IP(EA), eV:	-8.74(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-[2-(1,3-benzothiazol-4-yl)acetyl]oxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(C(=O)N1CC(=O)NC2=CC=CC=C2C(=O)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)NCC(=O)N)Cl

DOS

IR

Vibrations