Geometry & MOs

Info

ID:	177963
PubChem CID:	76259073
Reduced:	FNOC6H6 (3)
Stoich.:	ABCD6E6 (3)
Weight, g/mol:	491.233268
ΔH_f, kcal/mol:	-245.54
Dipole, Da:	1.66
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-ethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)NC3CC(CNC3=O)C(F)(F)F

DOS

IR

Vibrations