Geometry & MOs

Info

ID:

188385

PubChem CID:

77707817

Reduced:

ClFSN4O5H22C25 (1)

Stoich.:

ABCD4E5F22G25 (1)

Weight, g/mol:

542.28845

ΔHf, kcal/mol:

-165.16

Dipole, Da:

10.01

IP(EA), eV:

 -9.14(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2-[(4-carbamimidoylphenyl)methylamino]-2-pyrazolidin-3-ylacetamide;hydrochloride

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)F.C(=O)O

DOS

IR

Vibrations