Geometry & MOs

Info

ID:	298129
PubChem CID:	117647670
Reduced:	SN5C35H43 (1)
Stoich.:	AB5C35D43 (1)
Weight, g/mol:	452.203468
ΔH_f, kcal/mol:	90.88
Dipole, Da:	2.55
IP(EA), eV:	-8.35(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[8-[4-(2-aminoethylamino)phenyl]dibenzothiophen-2-yl]phenyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations