Geometry & MOs

Info

ID:	334600
PubChem CID:	127253275
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	419.105211
ΔH_f, kcal/mol:	-51.38
Dipole, Da:	5.7
IP(EA), eV:	-8.39(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)CC[C@H]3C(=O)NC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations