Geometry & MOs

Info

ID:	299399
PubChem CID:	117682812
Reduced:	FSO4N5C21H24 (1)
Stoich.:	ABC4D5E21F24 (1)
Weight, g/mol:	465.103767
ΔH_f, kcal/mol:	-136.17
Dipole, Da:	2.32
IP(EA), eV:	-8.33(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]pyridin-2-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C4=C(C=C(C=N4)[C@@H](CO)O)F

DOS

IR

Vibrations