Geometry & MOs

Info

ID:

50829

PubChem CID:

12013418

Reduced:

N2S2O5C27H28 (1)

Stoich.:

A2B2C5D27E28 (1)

Weight, g/mol:

558.128314

ΔHf, kcal/mol:

-137.98

Dipole, Da:

3.48

IP(EA), eV:

 -8.72(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1C(=CC2=CC=CC=C2N1C(=O)OC)C(=O)N3C(CSC3=S)CC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations