Geometry & MOs

Info

ID:	299397
PubChem CID:	117682808
Reduced:	SF2O3N5C21H23 (1)
Stoich.:	AB2C3D5E21F23 (1)
Weight, g/mol:	435.117667
ΔH_f, kcal/mol:	-151.78
Dipole, Da:	5.39
IP(EA), eV:	-8.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations