Geometry & MOs

Info

ID:

47276

PubChem CID:

10531057

Reduced:

Cl2O2N4H5C10 (2)

Stoich.:

A2B2C4D5E10 (2)

Weight, g/mol:

568.253314

ΔHf, kcal/mol:

-18.54

Dipole, Da:

2.73

IP(EA), eV:

 -9.51(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[1-[(2S)-2-[[4-[(Z)-N'-ethoxycarbonylcarbamimidoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC2=NC(=NC(=N2)Cl)Cl)C(=O)O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl)Cl)C(=O)O

DOS

IR

Vibrations