Geometry & MOs

Info

ID:

163151

PubChem CID:

57646615

Reduced:

ClS2N4O5H25C30 (1)

Stoich.:

AB2C4D5E25F30 (1)

Weight, g/mol:

378.068571

ΔHf, kcal/mol:

-73.21

Dipole, Da:

12.04

IP(EA), eV:

 -8.81(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=CC(=C2)N)/C(=C\3/C(N(C(=O)C3=O)C4=NC=C(S4)S(=O)(=O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)/O

DOS

IR

Vibrations