Geometry & MOs

Info

ID:

299389

PubChem CID:

117682784

Reduced:

SF2O3N5C21H23 (1)

Stoich.:

AB2C3D5E21F23 (1)

Weight, g/mol:

463.148967

ΔHf, kcal/mol:

-147.19

Dipole, Da:

3.07

IP(EA), eV:

 -8.96(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations