Geometry & MOs

Info

ID:	67892
PubChem CID:	46507376
Reduced:	SO2N5H23C26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	354.113506
ΔH_f, kcal/mol:	40.99
Dipole, Da:	1.81
IP(EA), eV:	-8.85(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-chloro-4-methylanilino)-6-methylquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)NC3=NN4C(=O)C5=CC=CC=C5N=C4S3

DOS

IR

Vibrations