Geometry & MOs

Info

ID:

59789

PubChem CID:

24897172

Reduced:

N2O7C35H48 (1)

Stoich.:

A2B7C35D48 (1)

Weight, g/mol:

487.063604

ΔHf, kcal/mol:

-289.48

Dipole, Da:

5.33

IP(EA), eV:

 -8.86(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[5-[(E)-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-ylidene]methyl]thiophen-3-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC(=CC(=C2)CC/C=C\[C@@H]1O)O)OC)OC(=O)[C@@H](C)NC(=O)C3CCCCC3

DOS

IR

Vibrations