Geometry & MOs

Info

ID:

128220

PubChem CID:

51036112

Reduced:

FSO4N5C32H46 (1)

Stoich.:

ABC4D5E32F46 (1)

Weight, g/mol:

651.325454

ΔHf, kcal/mol:

-230.71

Dipole, Da:

3.28

IP(EA), eV:

 -8.79(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3,3-diethyl-8-fluoro-1,1-dioxo-2,4-dihydrothiazino[2,3-a]indol-5-yl)-2-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)cyclohexyl]amino]benzamide

Drug info:

PubChemData

Smile

CCN(CC)CCC(=O)NC1CCC(CC1)NC2=C(C(=CC(=C2)N3C4=C(CCC4)C5=C3CC(CS5(=O)=O)(C)C)F)C(=O)N

DOS

IR

Vibrations