Geometry & MOs

Info

ID:	377804
PubChem CID:	134223869
Reduced:	ClNO5C23H26 (1)
Stoich.:	ABC5D23E26 (1)
Weight, g/mol:	403.118651
ΔH_f, kcal/mol:	-191.95
Dipole, Da:	14.36
IP(EA), eV:	-9.39(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-10-chloro-2-oxo-9-[(3R)-oxolan-3-yl]oxy-6-propan-2-yl-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)OC4CC(C4)OC

DOS

IR

Vibrations