Geometry & MOs

Info

ID:

381312

PubChem CID:

134972007

Reduced:

S2N6O8C23H34 (1)

Stoich.:

A2B6C8D23E34 (1)

Weight, g/mol:

817.313883

ΔHf, kcal/mol:

-122.29

Dipole, Da:

5.22

IP(EA), eV:

 -9.11(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[4-[3-[3-(methylamino)propyl-(4-nitrophenyl)sulfonylamino]propyl-(4-nitrophenyl)sulfonylamino]butylamino]-3-(4-methylphenyl)-1-oxopropan-2-yl]butanamide

Drug info:

PubChemData

Smile

CNCCCN(CCCN(CCCCN)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations