Geometry & MOs

Info

ID:

298128

PubChem CID:

117647669

Reduced:

SO4N7C37H41 (1)

Stoich.:

AB4C7D37E41 (1)

Weight, g/mol:

565.323918

ΔHf, kcal/mol:

-83.97

Dipole, Da:

2.46

IP(EA), eV:

 -8.72(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[[3-[8-[3-[[bis(2-aminoethyl)amino]methyl]phenyl]dibenzothiophen-2-yl]phenyl]methyl]-N'-propylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=CC(=C1)C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=CC(=CC(=C5)C(=O)NCCN)C(=O)NCCN)C(=O)NCCN

DOS

IR

Vibrations