Geometry & MOs

Info

ID:

179060

PubChem CID:

76427937

Reduced:

N5O8C29H45 (3)

Stoich.:

A5B8C29D45 (3)

Weight, g/mol:

514.121

ΔHf, kcal/mol:

-1105.84

Dipole, Da:

5.61

IP(EA), eV:

 -9.17(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)N(C(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(CCCCN)NC(=O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)C(=O)C(CC(C)C)NC(=O)C5CCCN5C(=O)C(CCCCN)NC(=O)C6=CC=C(C=C6)OC7C(C(C(C(O7)CO)O)O)O

DOS

IR

Vibrations