Geometry & MOs

Info

ID:

381313

PubChem CID:

134972008

Reduced:

S2N7O10C37H51 (1)

Stoich.:

A2B7C10D37E51 (1)

Weight, g/mol:

586.187954

ΔHf, kcal/mol:

-218.87

Dipole, Da:

6.96

IP(EA), eV:

 -8.9(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-aminopropyl)-N-[4-[3-(methylamino)propyl-(4-nitrophenyl)sulfonylamino]butyl]-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)C)C(=O)NCCCCN(CCCN(CCCNC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations