Geometry & MOs

Info

ID:

132716

PubChem CID:

51406409

Reduced:

NO7C25H31 (1)

Stoich.:

AB7C25D31 (1)

Weight, g/mol:

457.210052

ΔHf, kcal/mol:

-287.93

Dipole, Da:

5.94

IP(EA), eV:

 -8.72(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OCCOC(C)C)C3=CC=C(C=C3)O)C(=O)[C@@H]1C(=O)OC

DOS

IR

Vibrations