Geometry & MOs

Info

ID:

377809

PubChem CID:

134223874

Reduced:

N2O15C49H58 (1)

Stoich.:

A2B15C49D58 (1)

Weight, g/mol:

407.173273

ΔHf, kcal/mol:

-477.66

Dipole, Da:

11.22

IP(EA), eV:

 -9.18(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CO)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OCC4CC(C4)OOCC(C)(C)[C@@H]5CC6=CC(=C(C=C6C7=CC(=O)C(=CN57)C(=O)O)OC)OCC8(COC8)COC

DOS

IR

Vibrations