Geometry & MOs

Info

ID:

44809

PubChem CID:

10506020

Reduced:

N4O11C21H32 (1)

Stoich.:

A4B11C21D32 (1)

Weight, g/mol:

516.131485

ΔHf, kcal/mol:

-500.21

Dipole, Da:

5.56

IP(EA), eV:

 -10.26(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[[2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetyl]amino]-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)CCCC(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O

DOS

IR

Vibrations