Geometry & MOs

Info

ID:	377788
PubChem CID:	134223853
Reduced:	ClNO3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	457.210052
ΔH_f, kcal/mol:	-43.12
Dipole, Da:	13.38
IP(EA), eV:	-9.58(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-tert-butyl-10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)C#CC4CC4

DOS

IR

Vibrations