Geometry & MOs

Info

ID:	442414
PubChem CID:	135251925
Reduced:	ClFSO2N4H30C31 (1)
Stoich.:	ABCD2E4F30G31 (1)
Weight, g/mol:	650.158839
ΔH_f, kcal/mol:	-36.1
Dipole, Da:	4.88
IP(EA), eV:	-9.09(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-(dithiolan-3-yl)pentanamide

Drug info:

PubChemData

Smile

CCCC(CC(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)F)Cl)OCC)SCC4=CC=CC=C4

DOS

IR

Vibrations