Geometry & MOs

Info

ID:	328269
PubChem CID:	126700486
Reduced:	N5H29C39 (1)
Stoich.:	A5B29C39 (1)
Weight, g/mol:	508.172168
ΔH_f, kcal/mol:	199.22
Dipole, Da:	3.34
IP(EA), eV:	-7.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-[1]benzothiolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(N=C(N2)C3=CC=CC=C3)N4C5=CC=CC=C5C6=CC7=C(C=C64)C8=CC=CC=C8N7C9=CC=CC=C9

DOS

IR

Vibrations