Geometry & MOs

Info

ID:	147277
PubChem CID:	53786932
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	580.256685
ΔH_f, kcal/mol:	28.62
Dipole, Da:	2.61
IP(EA), eV:	-9.5(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(CN)C1=NC(=NO1)C2=CC=CC=C2

DOS

IR

Vibrations