Geometry & MOs

Info

ID:	182347
PubChem CID:	76878121
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	420.150764
ΔH_f, kcal/mol:	5.9
Dipole, Da:	1.64
IP(EA), eV:	-8.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[(3-methoxy-4-methylsulfanylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)SC

DOS

IR

Vibrations