Geometry & MOs

Info

ID:	336077
PubChem CID:	127255084
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	493.14199
ΔH_f, kcal/mol:	37.27
Dipole, Da:	7.55
IP(EA), eV:	-8.03(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC(=O)N2CCC(CC2)C3=NN=C4N3C=CC=C4)C

DOS

IR

Vibrations