Geometry & MOs

Info

ID:	336040
PubChem CID:	127255047
Reduced:	O2N5C15H17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	447.100125
ΔH_f, kcal/mol:	-13.69
Dipole, Da:	2.14
IP(EA), eV:	-9.7(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetyl]amino]-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CNC(=O)CCCNC(=O)C2=NC=CN=C2

DOS

IR

Vibrations