Geometry & MOs

Info

ID:	336123
PubChem CID:	127255130
Reduced:	FOS2N4H15C17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	475.185569
ΔH_f, kcal/mol:	8.85
Dipole, Da:	4.84
IP(EA), eV:	-8.66(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-imidazol-1-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)NC3=C4CSCC4=NN3C

DOS

IR

Vibrations