Geometry & MOs

Info

ID:

304786

PubChem CID:

124766172

Reduced:

SO4N7C35H41 (1)

Stoich.:

AB4C7D35E41 (1)

Weight, g/mol:

655.294074

ΔHf, kcal/mol:

-51.97

Dipole, Da:

9.05

IP(EA), eV:

 -8.61(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[N-[2-(benzotriazol-1-yl)acetyl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylanilino]-N-cyclopentyl-2-[(3R)-2,3-dihydro-1H-indol-3-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N([C@H]([C@H]3CNC4=CC=CC=C34)C(=O)NC5CCCC5)C(=O)CN6C7=CC=CC=C7N=N6

DOS

IR

Vibrations