Geometry & MOs

Info

ID:	335559
PubChem CID:	127254421
Reduced:	SO3N5H19C22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	461.115775
ΔH_f, kcal/mol:	-14.91
Dipole, Da:	3.0
IP(EA), eV:	-9.5(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(S1)NC(=O)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations