Geometry & MOs

Info

ID:	32113
PubChem CID:	4266097
Reduced:	SN4O4H14C20 (1)
Stoich.:	AB4C4D14E20 (1)
Weight, g/mol:	389.099811
ΔH_f, kcal/mol:	56.2
Dipole, Da:	8.32
IP(EA), eV:	-8.87(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2-fluorophenoxy)ethylsulfanyl]benzimidazolo[1,2-c]quinazoline

Drug info:

PubChemData

Smile

CN(C1=NC(=CS1)C2=CC3=CC=CC=C3OC2=O)N=CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations