Geometry & MOs

Info

ID:

219771

PubChem CID:

85164880

Reduced:

N3O5H29C37 (1)

Stoich.:

A3B5C29D37 (1)

Weight, g/mol:

595.242432

ΔHf, kcal/mol:

12.29

Dipole, Da:

9.16

IP(EA), eV:

 -9.06(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[3-[[2-[3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]acetyl]amino]-6-(diaminomethylideneamino)-2-oxohexanoyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(=CCON=CC(=O)O)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5

DOS

IR

Vibrations