Geometry & MOs

Info

ID:

67588

PubChem CID:

46506773

Reduced:

FS2N4O4H23C31 (1)

Stoich.:

AB2C4D4E23F31 (1)

Weight, g/mol:

598.114476

ΔHf, kcal/mol:

-55.45

Dipole, Da:

7.71

IP(EA), eV:

 -8.93(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[(3-fluorophenyl)methyl]-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NC=C4C(=N3)C5=CC=CC=C5N(S4(=O)=O)CC6=CC=C(C=C6)F

DOS

IR

Vibrations