Geometry & MOs

Info

ID:

185779

PubChem CID:

77346953

Reduced:

ClSO5N6C28H37 (1)

Stoich.:

ABC5D6E28F37 (1)

Weight, g/mol:

568.246789

ΔHf, kcal/mol:

-207.08

Dipole, Da:

3.64

IP(EA), eV:

 -9.27(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(4-cyclopentyl-1-naphthalen-2-ylsulfonyl-3,6-dioxopiperazin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(=O)N(C(C2=O)CC(=O)NCC3CCCN(C3)C(=N)N)S(=O)(=O)C4=CC5=CC=CC=C5C=C4.Cl

DOS

IR

Vibrations