Geometry & MOs

Info

ID:	441584
PubChem CID:	135236482
Reduced:	ClFS2N4O4H18C22 (1)
Stoich.:	ABC2D4E4F18G22 (1)
Weight, g/mol:	488.054374
ΔH_f, kcal/mol:	-113.37
Dipole, Da:	4.04
IP(EA), eV:	-9.11(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]dithiolane-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)C4CSS(=O)(=O)C4

DOS

IR

Vibrations