Geometry & MOs

Info

ID:	82207
PubChem CID:	49855759
Reduced:	ClFO3N5H23C32 (1)
Stoich.:	ABC3D5E23F32 (1)
Weight, g/mol:	595.124502
ΔH_f, kcal/mol:	-1.44
Dipole, Da:	2.5
IP(EA), eV:	-8.66(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl

DOS

IR

Vibrations