Geometry & MOs

Info

ID:

307423

PubChem CID:

125299903

Reduced:

N2O3H13C15 (2)

Stoich.:

A2B3C13D15 (2)

Weight, g/mol:

538.185235

ΔHf, kcal/mol:

-136.21

Dipole, Da:

3.1

IP(EA), eV:

 -9.14(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-3-hydroxy-2-[[2-[(9R,10R,15R)-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=CC=C(C=C1)[C@@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@@H]5N2C(=O)N(C5=O)C6=CC=CC=C6C(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations