Geometry & MOs

Info

ID:	312965
PubChem CID:	126610513
Reduced:	SN5O5C12H21 (1)
Stoich.:	AB5C5D12E21 (1)
Weight, g/mol:	589.240565
ΔH_f, kcal/mol:	-197.18
Dipole, Da:	4.43
IP(EA), eV:	-9.09(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-[4-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COS(=O)(=O)N)N

DOS

IR

Vibrations