Geometry & MOs

Info

ID:

128212

PubChem CID:

51035633

Reduced:

N2O2C16H19 (2)

Stoich.:

A2B2C16D19 (2)

Weight, g/mol:

583.262854

ΔHf, kcal/mol:

-110.37

Dipole, Da:

4.85

IP(EA), eV:

 -8.68(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]amino]-4-(8-fluoro-3,3-dimethyl-1,1-dioxo-2,4-dihydrothiazino[2,3-a]indol-5-yl)benzamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)[C@H]4CCN(C4)C(=O)CC5CC5)C(=O)CC6CC6

DOS

IR

Vibrations