Geometry & MOs

Info

ID:

448463

PubChem CID:

135291113

Reduced:

SN3O4C15H29 (1)

Stoich.:

AB3C4D15E29 (1)

Weight, g/mol:

745.296777

ΔHf, kcal/mol:

-220.26

Dipole, Da:

3.89

IP(EA), eV:

 -9.34(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(2S)-2-[methyl-[(1Z,4E,6Z)-1-(methylideneamino)nona-1,4,6-trien-4-yl]sulfonylamino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] (4Z,6E,9Z)-3,8-dihydroazecine-7-sulfonate

Drug info:

PubChemData

Smile

C(CCC(=O)NCCCCCC(=O)O)CCNC(=O)NCCS

DOS

IR

Vibrations