Geometry & MOs

Info

ID:	335686
PubChem CID:	127254548
Reduced:	N2O2F3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	481.175004
ΔH_f, kcal/mol:	-222.4
Dipole, Da:	6.82
IP(EA), eV:	-8.19(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O)C

DOS

IR

Vibrations