Geometry & MOs

Info

ID:

225864

PubChem CID:

87235788

Reduced:

SN4O6H16C19 (1)

Stoich.:

AB4C6D16E19 (1)

Weight, g/mol:

579.156989

ΔHf, kcal/mol:

-152.74

Dipole, Da:

4.02

IP(EA), eV:

 -9.47(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(3Z)-1,1-dihydroxy-3-[1-(3-methylbutyl)-2,4-dioxo-1,8-naphthyridin-3-ylidene]-4H-1lambda4,2,4-benzothiadiazin-7-yl]sulfamoylamino]propanamide

Drug info:

PubChemData

Smile

CCC1=C2C(=O)/C(=C\3/NC4=CC=CC=C4S(=O)(=O)N3)/C(=O)N(C2=NC=C1)OC(=O)C

DOS

IR

Vibrations