Geometry & MOs

Info

ID:	317238
PubChem CID:	126634663
Reduced:	N3S3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	878.340947
ΔH_f, kcal/mol:	97.57
Dipole, Da:	2.61
IP(EA), eV:	-8.24(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-[2-methyl-5-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-7-(1-phenyl-9,10-didehydro-11H-cyclohepta[f]quinazolin-3-yl)benzo[c]carbazole

Drug info:

PubChemData

Smile

CCN(C1=CC=CC2=C1NC(=C2)C3=NCCS3)SC4=CC=CS4

DOS

IR

Vibrations