Geometry & MOs

Info

ID:

302267

PubChem CID:

124360958

Reduced:

N2O7C29H30 (1)

Stoich.:

A2B7C29D30 (1)

Weight, g/mol:

518.205301

ΔHf, kcal/mol:

-246.33

Dipole, Da:

5.63

IP(EA), eV:

 -8.99(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-3-phenyl-2-[[(2R)-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)N[C@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)C)C

DOS

IR

Vibrations