Geometry & MOs

Info

ID:

377807

PubChem CID:

134223872

Reduced:

ClNO5C24H28 (1)

Stoich.:

ABC5D24E28 (1)

Weight, g/mol:

457.210052

ΔHf, kcal/mol:

-194.57

Dipole, Da:

13.57

IP(EA), eV:

 -9.41(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-6-(1-hydroxy-2-methylpropan-2-yl)-10-methoxy-9-[[1-(methoxymethyl)cyclopropyl]methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)OCC4CC(C4)OC

DOS

IR

Vibrations