Geometry & MOs

Info

ID:

327577

PubChem CID:

126690402

Reduced:

S4N5O13H23C28 (1)

Stoich.:

A4B5C13D23E28 (1)

Weight, g/mol:

360.133006

ΔHf, kcal/mol:

-335.55

Dipole, Da:

8.72

IP(EA), eV:

 -8.88(-2.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-9-[4-(cyclopropylamino)-2H-thieno[2,3-e][1,3]thiazin-7-yl]-6-methylnona-1,3,8-trien-5-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OC)N=NC4=C5C=CC=C(C5=C(C=C4)N)S(=O)(=O)O

DOS

IR

Vibrations