Geometry & MOs

Info

ID:

47160

PubChem CID:

10530060

Reduced:

SN5O5C26H29 (1)

Stoich.:

AB5C5D26E29 (1)

Weight, g/mol:

523.221303

ΔHf, kcal/mol:

-89.06

Dipole, Da:

4.21

IP(EA), eV:

 -9.06(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3S)-3-(benzenesulfonylcarbamoylamino)-2-oxopiperidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-ethoxypiperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]1N2C=NC3=C(N=CN=C32)N)OCC4=CC=CC=C4)COCC5=CC=CC=C5

DOS

IR

Vibrations