Geometry & MOs

Info

ID:	57645
PubChem CID:	22429542
Reduced:	ClFN3O3H25C31 (1)
Stoich.:	ABC3D3E25F31 (1)
Weight, g/mol:	523.166269
ΔH_f, kcal/mol:	-92.32
Dipole, Da:	7.43
IP(EA), eV:	-9.28(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-benzyl-2,4-dioxoquinazolin-3-yl)methyl]-N-[2-(4-chlorophenyl)ethyl]benzamide

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)F

DOS

IR

Vibrations