Geometry & MOs

Info

ID:

147278

PubChem CID:

53786933

Reduced:

SN4O8C27H40 (1)

Stoich.:

AB4C8D27E40 (1)

Weight, g/mol:

580.256685

ΔHf, kcal/mol:

-365.89

Dipole, Da:

11.58

IP(EA), eV:

 -8.89(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[(2S)-2-carboxy-3-[[(2S)-2,6-diaminohexanoyl]-methylsulfonylamino]propyl]cyclopentanecarbonyl]amino]-1,3-dihydroindene-2-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N(C[C@@H](CC1(CCCC1)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O)C(=O)O)C(=O)[C@H](CCCCN)N

DOS

IR

Vibrations