Geometry & MOs

Info

ID:

226600

PubChem CID:

87544334

Reduced:

ClN3O4H18C19 (1)

Stoich.:

AB3C4D18E19 (1)

Weight, g/mol:

538.174928

ΔHf, kcal/mol:

-46.6

Dipole, Da:

4.87

IP(EA), eV:

 -8.72(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-[1-(2-hydroxyethyl)-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazin-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C)Cl)C2=CC=C(N2C)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-])C

DOS

IR

Vibrations