Geometry & MOs

Info

ID:	336178
PubChem CID:	127255185
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	423.133139
ΔH_f, kcal/mol:	-46.65
Dipole, Da:	2.31
IP(EA), eV:	-8.45(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3H-benzimidazol-5-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C([N+](=CN1CCC2=CC=C(C=C2)S(=O)(=O)N)[O-])C

DOS

IR

Vibrations