Geometry & MOs

Info

ID:

50830

PubChem CID:

12013419

Reduced:

N2S2O5H26C30 (1)

Stoich.:

A2B2C5D26E30 (1)

Weight, g/mol:

558.128314

ΔHf, kcal/mol:

-95.45

Dipole, Da:

4.3

IP(EA), eV:

 -8.64(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-(2-methoxy-2-oxo-1-phenylethyl)-3-(4-phenyl-2-sulfanylidene-1,3-thiazolidine-3-carbonyl)-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C([C@H]1C2=CC=CC=C2N(C=C1C(=O)N3[C@H](CSC3=S)C4=CC=CC=C4)C(=O)OC)C5=CC=CC=C5

DOS

IR

Vibrations