Geometry & MOs

Info

ID:

50828

PubChem CID:

12013417

Reduced:

N2S2O5C27H28 (1)

Stoich.:

A2B2C5D27E28 (1)

Weight, g/mol:

524.143964

ΔHf, kcal/mol:

-140.29

Dipole, Da:

3.8

IP(EA), eV:

 -8.59(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-(4-benzyl-2-sulfanylidene-1,3-thiazolidine-3-carbonyl)-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)([C@@H]1C2=CC=CC=C2N(C=C1C(=O)N3[C@H](CSC3=S)CC4=CC=CC=C4)C(=O)OC)C(=O)OC

DOS

IR

Vibrations