Geometry & MOs

Info

ID:	82371
PubChem CID:	49855951
Reduced:	ClFO2N5H29C36 (1)
Stoich.:	ABC2D5E29F36 (1)
Weight, g/mol:	520.077217
ΔH_f, kcal/mol:	11.19
Dipole, Da:	3.26
IP(EA), eV:	-8.63(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NC(=O)CCC2=CC=C(C=C2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl

DOS

IR

Vibrations