Geometry & MOs

Info

ID:	169944
PubChem CID:	75170823
Reduced:	BrSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	444.190989
ΔH_f, kcal/mol:	-38.09
Dipole, Da:	3.68
IP(EA), eV:	-8.42(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15,15-dimethyl-3-(4-methylphenyl)-6,8,10,12,18,20-hexazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,10,12,17-tetraene-5,7,19-trione

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=C(S2)Br)C3CC4=C(CC3O)C=CC=C4N

DOS

IR

Vibrations