Geometry & MOs

Info

ID:	298130
PubChem CID:	117647671
Reduced:	SN4C28H28 (1)
Stoich.:	AB4C28D28 (1)
Weight, g/mol:	700.365842
ΔH_f, kcal/mol:	94.52
Dipole, Da:	7.35
IP(EA), eV:	-7.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-aminopropoxy)-5-[8-[3,4-bis(3-aminopropoxy)-5-butoxyphenyl]dibenzothiophen-2-yl]phenoxy]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=CC=C(C=C5)NCCN)NCCN

DOS

IR

Vibrations