Geometry & MOs

Info

ID:

50827

PubChem CID:

12013416

Reduced:

N2S2O5C26H26 (1)

Stoich.:

A2B2C5D26E26 (1)

Weight, g/mol:

524.143964

ΔHf, kcal/mol:

-130.7

Dipole, Da:

3.22

IP(EA), eV:

 -8.71(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations