Geometry & MOs

Info

ID:

298131

PubChem CID:

117647673

Reduced:

SN4O5C40H52 (1)

Stoich.:

AB4C5D40E52 (1)

Weight, g/mol:

711.356674

ΔHf, kcal/mol:

-128.51

Dipole, Da:

3.53

IP(EA), eV:

 -8.2(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[3-[3-[8-[3,5-bis(3-aminopropoxy)phenyl]dibenzothiophen-2-yl]-5-[3-(diaminomethylideneamino)propoxy]phenoxy]propyl]ethanimidamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C(=CC(=C1)C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=CC(=CC(=C5)OCCCN)OCCCN)OCCCN)OCCCN

DOS

IR

Vibrations