Geometry & MOs

Info

ID:	335458
PubChem CID:	127254320
Reduced:	NOSBr2C16H19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	418.083268
ΔH_f, kcal/mol:	-26.8
Dipole, Da:	2.39
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloropyridin-3-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1(CC(CCO1)C2=NC(=CS2)C3=CC=C(C=C3)Br)C.Br

DOS

IR

Vibrations