Geometry & MOs

Info

ID:

7440

PubChem CID:

72702

Reduced:

OSN5C15H21 (2)

Stoich.:

ABC5D15E21 (2)

Weight, g/mol:

638.293363

ΔHf, kcal/mol:

43.82

Dipole, Da:

10.38

IP(EA), eV:

 -8.15(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-acetamidophenyl)methylideneamino]-N'-[3-[4-[3-[[[2-[(4-acetamidophenyl)methylidene]hydrazinyl]-sulfanylmethylidene]amino]propyl]piperazin-1-yl]propyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C=NNC(=NCCCN2CCN(CC2)CCCN=C(NN=CC3=CC=C(C=C3)NC(=O)C)S)S

DOS

IR

Vibrations