Geometry & MOs

Info

ID:	446505
PubChem CID:	135275534
Reduced:	SO6H28C38 (1)
Stoich.:	AB6C28D38 (1)
Weight, g/mol:	1136.380035
ΔH_f, kcal/mol:	-125.71
Dipole, Da:	3.43
IP(EA), eV:	-8.47(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yl-1-[8-[4-[naphthalen-2-yl(phenanthren-4-yl)amino]phenyl]dibenzothiophen-3-yl]phenanthren-4-amine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1COC(=O)C1OC(=O)C2=C3C=CC(=CC3=CC4=CC=CC=C42)C5=CC6=CC7=CC=CC=C7C(=C6C=C5)CSC8CCOC8=O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1COC(=O)C1OC(=O)C2=C3C=CC(=CC3=CC4=CC=CC=C42)C5=CC6=CC7=CC=CC=C7C(=C6C=C5)CSC8CCOC8=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):