Geometry & MOs

Info

ID:	298134
PubChem CID:	117647683
Reduced:	SF2N5C35H41 (1)
Stoich.:	AB2C5D35E41 (1)
Weight, g/mol:	621.386518
ΔH_f, kcal/mol:	-2.64
Dipole, Da:	2.84
IP(EA), eV:	-8.38(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CCN)CC1=CC(=C(C=C1)F)C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=C(C=CC(=C5)CN(CCN)CCN)F

DOS

IR

Vibrations