Geometry & MOs

Info

ID:	335535
PubChem CID:	127254397
Reduced:	SO2N3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	477.226371
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	4.2
IP(EA), eV:	-8.7(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-3-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanamide

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)COC

DOS

IR

Vibrations