Geometry & MOs

Info

ID:

225876

PubChem CID:

87235892

Reduced:

Br2Cl3S3O8N9H62C72 (1)

Stoich.:

A2B3C3D8E9F62G72 (1)

Weight, g/mol:

492.113727

ΔHf, kcal/mol:

-142.76

Dipole, Da:

16.07

IP(EA), eV:

 -8.84(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[7-(methoxymethoxymethyl)-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-3-ylidene]-1-(3-methylbutyl)-1,8-naphthyridine-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=N1)NC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)Br)C)C4=CC=C(C=C4)Cl.CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)Br)NC3=NC(=C(S3)C4=CC=C(C=C4)Cl)C(=O)O.CC1=C(C=C(C=C1)NC(=O)OCC(C)C)NC2=NC(=C(S2)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations