Geometry & MOs

Info

ID:	441588
PubChem CID:	135236498
Reduced:	ClFS2O3N4H24C27 (1)
Stoich.:	ABC2D3E4F24G27 (1)
Weight, g/mol:	568.131361
ΔH_f, kcal/mol:	-73.09
Dipole, Da:	6.13
IP(EA), eV:	-8.58(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-[[3-(2-chlorophenyl)-4-fluorophenyl]methoxy]anilino]-7-ethoxy-6-nitroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)NC(=O)CC5CCSS5

DOS

IR

Vibrations