Geometry & MOs

Info

ID:	57644
PubChem CID:	22429328
Reduced:	FSCl2N2O2H17C23 (1)
Stoich.:	ABC2D2E2F17G23 (1)
Weight, g/mol:	541.156848
ΔH_f, kcal/mol:	-82.35
Dipole, Da:	5.72
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)CC5=CC=CC=C5F

DOS

IR

Vibrations