Geometry & MOs

Info

ID:

170331

PubChem CID:

75217613

Reduced:

ClON3C14H16 (1)

Stoich.:

ABC3D14E16 (1)

Weight, g/mol:

699.427924

ΔHf, kcal/mol:

6.2

Dipole, Da:

2.51

IP(EA), eV:

 -9.52(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[[1-[(6-amino-1-oxohexan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-6-(propanoylamino)hexanamide

Drug info:

PubChemData

Smile

C1C=CC(N=N1)CCNC(=O)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations