Geometry & MOs

Info

ID:	82205
PubChem CID:	49855757
Reduced:	SN4O4C33H34 (1)
Stoich.:	AB4C4D33E34 (1)
Weight, g/mol:	540.136446
ΔH_f, kcal/mol:	-84.66
Dipole, Da:	9.99
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CNCCC(=O)NC2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CC6=C5NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations