Geometry & MOs

Info

ID:	318504
PubChem CID:	126651547
Reduced:	N2H27C38 (2)
Stoich.:	A2B27C38 (2)
Weight, g/mol:	517.186421
ΔH_f, kcal/mol:	325.54
Dipole, Da:	1.65
IP(EA), eV:	-7.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,5-diphenyldibenzothiophen-3-yl)-9-methylcarbazole

Drug info:

Smile

CN(C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=CC5=CC=CC=C5C=C43)C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC=CC(=C8)CN9C1=C(C=C(C=C1)N(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1)C1=C9C=CC2=CC=CC=C21

DOS

IR

Vibrations