Geometry & MOs

Info

ID:

307422

PubChem CID:

125299901

Reduced:

ClO2N5H18C19 (1)

Stoich.:

AB2C5D18E19 (1)

Weight, g/mol:

538.185235

ΔHf, kcal/mol:

11.79

Dipole, Da:

5.81

IP(EA), eV:

 -9.31(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-3-hydroxy-2-[[2-[(9R,10R,15S)-10-(4-methylphenyl)-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,7-tetraen-13-yl]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CC2=CC=C(C=C2)Cl)C3=NC(=O)[C@@H]4CCCC4=N3

DOS

IR

Vibrations