Geometry & MOs

Info

ID:

298135

PubChem CID:

117647684

Reduced:

SN5C39H51 (1)

Stoich.:

AB5C39D51 (1)

Weight, g/mol:

617.37029

ΔHf, kcal/mol:

72.01

Dipole, Da:

4.75

IP(EA), eV:

 -8.32(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[2-[4-[2-[3-[2-[3,4-bis[2-(diaminomethylideneamino)ethyl]phenyl]ethynyl]phenyl]ethynyl]-2-[2-(diaminomethylideneamino)ethyl]phenyl]ethyl]ethanimidamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations