Geometry & MOs

Info

ID:	377971
PubChem CID:	134224038
Reduced:	NSO9C26H33 (1)
Stoich.:	ABC9D26E33 (1)
Weight, g/mol:	457.210052
ΔH_f, kcal/mol:	-349.39
Dipole, Da:	10.13
IP(EA), eV:	-8.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)OCOC4CC(C4)COS(=O)(=O)C)OC)O

DOS

IR

Vibrations