Geometry & MOs

Info

ID:	82206
PubChem CID:	49855758
Reduced:	ClFO3N4H22C30 (1)
Stoich.:	ABC3D4E22F30 (1)
Weight, g/mol:	579.147346
ΔH_f, kcal/mol:	5.95
Dipole, Da:	1.57
IP(EA), eV:	-8.71(-1.24)
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]furan-2-carboxamide

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(C=C5)/C=C/C(=O)NO)Cl

DOS

IR

Vibrations