Geometry & MOs

Info

ID:	170360
PubChem CID:	75221064
Reduced:	S2N3O6C39H41 (1)
Stoich.:	A2B3C6D39E41 (1)
Weight, g/mol:	638.247047
ΔH_f, kcal/mol:	-129.13
Dipole, Da:	11.67
IP(EA), eV:	-8.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-cyano-1H-indol-3-yl)-1,2,3,3a-tetraphenyl-4,5-dihydrocyclopenta[c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(NC3=CC=CC=C32)CN(C(CC4=CC=C(C=C4)OCC5=CC=CC=C5)CO)S(=O)(=O)C6=CC=C(C=C6)C

DOS

IR

Vibrations