Geometry & MOs

Info

ID:	377786
PubChem CID:	134223851
Reduced:	ClNO5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	443.194402
ΔH_f, kcal/mol:	-185.7
Dipole, Da:	14.4
IP(EA), eV:	-9.4(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-(1-hydroxy-2-methylpropan-2-yl)-10-methoxy-9-(3-methoxycyclobutyl)oxy-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)OC4CC(C4)OC

DOS

IR

Vibrations