Geometry & MOs

Info

ID:

305167

PubChem CID:

124766967

Reduced:

N2S3O5H16C19 (1)

Stoich.:

A2B3C5D16E19 (1)

Weight, g/mol:

483.225702

ΔHf, kcal/mol:

-154.48

Dipole, Da:

2.52

IP(EA), eV:

 -8.98(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-cyclohexyl 6-O-methyl (4S,6S,7S)-4-(3-hydroxy-4-methoxyphenyl)-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)CC(=O)O)SC5=C([C@H]3C6=CC=CS6)SC(=O)N5

DOS

IR

Vibrations