Geometry & MOs

Info

ID:

329194

PubChem CID:

126731854

Reduced:

BrS2N3O4C26H28 (1)

Stoich.:

AB2C3D4E26F28 (1)

Weight, g/mol:

523.02351

ΔHf, kcal/mol:

-81.73

Dipole, Da:

6.72

IP(EA), eV:

 -9.13(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4R,5S)-4-(4-bromo-1,3-thiazol-2-yl)-5-[1-[(1Z)-buta-1,3-dienoxy]-2-hydroxyethyl]-4-(hydroxymethyl)-5,6-dihydro-1,3-thiazin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@@](N=C(S1)NC(=O)C2=CC=CC=C2)(CO)C3=NC(=CS3)Br)C[C@@H](CO)COCC4=CC=CC=C4

DOS

IR

Vibrations