Geometry & MOs

Info

ID:	57646
PubChem CID:	22429543
Reduced:	ClN3O3H26C31 (1)
Stoich.:	AB3C3D26E31 (1)
Weight, g/mol:	528.162054
ΔH_f, kcal/mol:	-45.56
Dipole, Da:	5.71
IP(EA), eV:	-9.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,4-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinazolin-3-yl]-N-(furan-2-ylmethyl)butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)NCCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations