Geometry & MOs

Info

ID:

222915

PubChem CID:

85333131

Reduced:

N4O15C24H40 (1)

Stoich.:

A4B15C24D40 (1)

Weight, g/mol:

625.170513

ΔHf, kcal/mol:

-693.69

Dipole, Da:

2.73

IP(EA), eV:

 -10.18(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-2-[4-(2-phenylethynyl)thiophen-2-yl]-1,3-thiazolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCC(=O)O)C(=O)N)OC1C(C(OC(C1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C

DOS

IR

Vibrations