Geometry & MOs

Info

ID:

308114

PubChem CID:

125317012

Reduced:

N2O5H24C25 (1)

Stoich.:

A2B5C24D25 (1)

Weight, g/mol:

502.22162

ΔHf, kcal/mol:

-69.16

Dipole, Da:

7.74

IP(EA), eV:

 -8.28(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S,3S)-3-methyl-2-[[(1S,2S,11S)-9-oxo-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-3,5,7,13,15,17,19-heptaene-11-carbonyl]amino]pentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=C(N=N1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)OC)O)OC4=CC=C(C=C4)OC

DOS

IR

Vibrations