Geometry & MOs

Info

ID:	377758
PubChem CID:	134223823
Reduced:	SO2F3N4C11H17 (1)
Stoich.:	AB2C3D4E11F17 (1)
Weight, g/mol:	361.108086
ΔH_f, kcal/mol:	-143.74
Dipole, Da:	3.18
IP(EA), eV:	-9.14(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 10-chloro-9-hydroxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(F)(F)S(=O)/C(=N/O)/C(C(C)(C)C)F)C

DOS

IR

Vibrations