Geometry & MOs

Info

ID:	434510
PubChem CID:	135175096
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	579.198357
ΔH_f, kcal/mol:	-44.55
Dipole, Da:	4.24
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[2-[2-[2-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CC4=C(CN(C4=O)C)C=C3)C(=O)NC5CC6CC(C6)C5

DOS

IR

Vibrations