Geometry & MOs

Info

ID:	82077
PubChem CID:	49855568
Reduced:	ClFN4O4H20C28 (1)
Stoich.:	ABC4D4E20F28 (1)
Weight, g/mol:	546.092868
ΔH_f, kcal/mol:	-27.68
Dipole, Da:	4.0
IP(EA), eV:	-8.9(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]thiophen-2-yl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)/C=C/C(=O)NO)Cl

DOS

IR

Vibrations