Geometry & MOs

Info

ID:	336159
PubChem CID:	127255166
Reduced:	S2O3N4H22C23 (1)
Stoich.:	A2B3C4D22E23 (1)
Weight, g/mol:	493.21139
ΔH_f, kcal/mol:	-32.07
Dipole, Da:	12.09
IP(EA), eV:	-8.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide

Drug info:

PubChemData

Smile

C1CCS(=O)(=O)N(C1)C2=CC(=CC=C2)N3CC(=O)C(=C3N)C4=NC(=CS4)C5=CC=CC=C5

DOS

IR

Vibrations