Geometry & MOs

Info

ID:

299636

PubChem CID:

117688237

Reduced:

N5O6C28H35 (1)

Stoich.:

A5B6C28D35 (1)

Weight, g/mol:

727.207682

ΔHf, kcal/mol:

-160.95

Dipole, Da:

6.88

IP(EA), eV:

 -8.82(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-[[2-[1-phenylmethoxycarbonyloxy-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=NC=N2)C3=C(C=CC(=C3)OC)OCC4CC4)C(=O)N[C@@H]5CCN(C5)OC(=O)OC(C)(C)C

DOS

IR

Vibrations