Geometry & MOs

Info

ID:	379749
PubChem CID:	134464114
Reduced:	ClS2O5N6C34H37 (1)
Stoich.:	AB2C5D6E34F37 (1)
Weight, g/mol:	764.319149
ΔH_f, kcal/mol:	-88.95
Dipole, Da:	9.77
IP(EA), eV:	-8.32(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-(4-phenylphenyl)-N-[4-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]phenyl]aniline

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1[C@@H](C(=O)O)OC(C)(C)C)C3=CC=C(C=C3)Cl)SC(=N2)C4=NC5=C(C=C4)N(N=C5N6CCN(CC6)C7CS(=O)(=O)C7)C

DOS

IR

Vibrations