Geometry & MOs

Info

ID:	377975
PubChem CID:	134224042
Reduced:	ClSN2O2F3H14C15 (1)
Stoich.:	ABC2D2E3F14G15 (1)
Weight, g/mol:	485.241352
ΔH_f, kcal/mol:	-194.0
Dipole, Da:	4.17
IP(EA), eV:	-8.87(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 10-methoxy-9-(3-methoxycyclobutyl)oxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OC(C)C)NC(=O)C2=C(N=C(S2)Cl)C(F)(F)F

DOS

IR

Vibrations