Geometry & MOs

Info

ID:

298133

PubChem CID:

117647679

Reduced:

SO6N17C49H71 (1)

Stoich.:

AB6C17D49E71 (1)

Weight, g/mol:

601.305074

ΔHf, kcal/mol:

-58.14

Dipole, Da:

7.03

IP(EA), eV:

 -8.13(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[[3-[8-[5-[[bis(2-aminoethyl)amino]methyl]-2-fluorophenyl]dibenzothiophen-2-yl]-4-fluorophenyl]methyl]-N'-propylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(=NCCCOC1=C(C(=CC(=C1)C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=CC(=C(C(=C5)OCCCN=C(N)N)OCCCN=C(N)N)OCCCN=C(N)N)OCCCN=C(N)N)OCCCN=C(N)N)N

DOS

IR

Vibrations