Geometry & MOs

Info

ID:	299396
PubChem CID:	117682805
Reduced:	FSO3N5C21H24 (1)
Stoich.:	ABC3D5E21F24 (1)
Weight, g/mol:	463.148967
ΔH_f, kcal/mol:	-108.89
Dipole, Da:	4.83
IP(EA), eV:	-8.93(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[5-[(1S,2S)-1,2-dihydroxypropyl]-3-fluoropyridin-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)F)C4=NC=C(C=C4C)[C@@H](CO)O

DOS

IR

Vibrations