Geometry & MOs

Info

ID:	227154
PubChem CID:	87560364
Reduced:	FSCl2O2N4C21H21 (1)
Stoich.:	ABC2D2E4F21G21 (1)
Weight, g/mol:	532.132504
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	3.76
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl] (E)-2-methyl-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=NN(C(=C1)SC2=CN=C(C=C2)Cl)C3=C(C(=CC=C3)Cl)F)OC(=O)NC

DOS

IR

Vibrations