Geometry & MOs

Info

ID:	445063
PubChem CID:	135264411
Reduced:	SN3H21C30 (1)
Stoich.:	AB3C21D30 (1)
Weight, g/mol:	466.15037
ΔH_f, kcal/mol:	188.09
Dipole, Da:	1.33
IP(EA), eV:	-8.28(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(9-phenyl-1,2-dihydrocarbazol-3-yl)thieno[3,2-c]carbazole

Drug info:

PubChemData

Smile

C=CC=N/C=C/C1=NC(=CC(=C1)C2=CC=CC=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C=CS6

DOS

IR

Vibrations