Geometry & MOs

Info

ID:	395474
PubChem CID:	135025546
Reduced:	N3O3H27C34 (1)
Stoich.:	A3B3C27D34 (1)
Weight, g/mol:	337.088498
ΔH_f, kcal/mol:	58.9
Dipole, Da:	1.15
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyanilino)-6-methyl-[1,3]thiazolo[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@]3(C1=O)[C@H](C(=O)C[C@@H](C3(C#N)C#N)C4=CC=CC=C4)CC(=C)C(=O)/C=C/C5=CC=CC=C5

DOS

IR

Vibrations