Geometry & MOs

Info

ID:	335680
PubChem CID:	127254542
Reduced:	SN3O4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	475.210721
ΔH_f, kcal/mol:	-137.43
Dipole, Da:	7.97
IP(EA), eV:	-8.79(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC(=O)CCCCCN2C=CC=C2)N3CCCCS3(=O)=O

DOS

IR

Vibrations