Geometry & MOs

Info

ID:	124299
PubChem CID:	50877481
Reduced:	NSO3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	278.036128
ΔH_f, kcal/mol:	-86.77
Dipole, Da:	4.26
IP(EA), eV:	-8.85(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-nitro-4-sulfanylidene-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)N=CC3=C2S/C(=C(/O)\OC)/C3=O)C

DOS

IR

Vibrations