Geometry & MOs

Info

ID:

328456

PubChem CID:

126723121

Reduced:

O4C19H24 (1)

Stoich.:

A4B19C24 (1)

Weight, g/mol:

565.210738

ΔHf, kcal/mol:

-136.78

Dipole, Da:

0.72

IP(EA), eV:

 -8.13(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-[1-[(E)-2-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-1,3-benzothiazol-5-yl]prop-1-enyl]imino-2-methyl-1-(methylideneamino)propan-2-yl]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCC1=C(C(=CC(=C1)OC)C2=C(C=CC(=C2)OC)OC)O

DOS

IR

Vibrations