Geometry & MOs

Info

ID:

134492

PubChem CID:

51705429

Reduced:

N2O3S3H18C23 (1)

Stoich.:

A2B3C3D18E23 (1)

Weight, g/mol:

477.137672

ΔHf, kcal/mol:

-38.8

Dipole, Da:

5.19

IP(EA), eV:

 -8.93(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-(2-ethylsulfanylethyl) 6-O-methyl (4S,6S,7R)-4-(3-chlorophenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]3[C@@H]([C@@H]1[C@H]4[C@H]2C(=O)N(C4=O)C5=CC=CC=C5)SC6=C([C@H]3C7=CC=CS7)SC(=O)N6

DOS

IR

Vibrations