Geometry & MOs

Info

ID:

189145

PubChem CID:

77823701

Reduced:

ClN4O5C29H35 (1)

Stoich.:

AB4C5D29E35 (1)

Weight, g/mol:

638.260131

ΔHf, kcal/mol:

-162.12

Dipole, Da:

4.5

IP(EA), eV:

 -9.27(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(dihydroxyamino)oxymethyl]phenyl]methyl 5-[2-[4-[[3-(1-aminoethylidene)-6-oxo-2-prop-1-en-2-yliminopiperidin-1-yl]methyl]phenyl]phenyl]tetrazole-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1CCC(CNC2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C4=NNC(=O)CC4)Cl)O

DOS

IR

Vibrations