Geometry & MOs

Info

ID:	438977
PubChem CID:	135228738
Reduced:	FSO4N5C25H26 (1)
Stoich.:	ABC4D5E25F26 (1)
Weight, g/mol:	493.257671
ΔH_f, kcal/mol:	-123.93
Dipole, Da:	2.01
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-6-tert-butyl-3-(2-ethoxyacetyl)-10-methoxy-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CCC3=C(C=CC(=C3)F)OC)CC(=O)N4CCCC4)N5C=CC=N5

DOS

IR

Vibrations