Geometry & MOs

Info

ID:	56572
PubChem CID:	17436376
Reduced:	BrFN2O3H14C16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	488.047667
ΔH_f, kcal/mol:	-122.99
Dipole, Da:	6.81
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC2=CC=CC=C2C(=O)N

DOS

IR

Vibrations