Geometry & MOs

Info

ID:	377805
PubChem CID:	134223870
Reduced:	ClNO5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	429.178752
ΔH_f, kcal/mol:	-192.48
Dipole, Da:	13.15
IP(EA), eV:	-9.52(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-(1-hydroxy-2-methylpropan-2-yl)-10-methoxy-2-oxo-9-[(3R)-oxolan-3-yl]oxy-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)O[C@@H]4CCOC4

DOS

IR

Vibrations