Geometry & MOs

Info

ID:	43191
PubChem CID:	10319291
Reduced:	SN2O5C20H28 (1)
Stoich.:	AB2C5D20E28 (1)
Weight, g/mol:	407.91625
ΔH_f, kcal/mol:	-163.63
Dipole, Da:	5.54
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2-iodoindolo[2,1-b]quinazoline-6,12-dione

Drug info:

PubChemData

Smile

CC[C@@]12CCCC1C3C/C(=N/O)/C4=CC(=C(C=C4C3CC2)OC)OS(=O)(=O)N

DOS

IR

Vibrations