Geometry & MOs

Info

ID:

299388

PubChem CID:

117682775

Reduced:

FNSO3C27H34 (1)

Stoich.:

ABCD3E27F34 (1)

Weight, g/mol:

463.148967

ΔHf, kcal/mol:

-137.62

Dipole, Da:

0.67

IP(EA), eV:

 -8.65(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2=C(C=C(S2)OC(=O)C)C(N1C(C)(C3=C(C=CC(=C3C)C)F)C(=O)C4C(C4C)C)C

DOS

IR

Vibrations