Geometry & MOs

Info

ID:	319518
PubChem CID:	126656517
Reduced:	ClNOH18C30 (1)
Stoich.:	ABCD18E30 (1)
Weight, g/mol:	668.22862
ΔH_f, kcal/mol:	98.26
Dipole, Da:	2.69
IP(EA), eV:	-8.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diphenyl-4-[12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazol-5-yl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C(C=C6C7=CC=CC=C7OC6=C53)Cl

DOS

IR

Vibrations