Geometry & MOs

Info

ID:

299614

PubChem CID:

117688149

Reduced:

N5O8C26H33 (1)

Stoich.:

A5B8C26D33 (1)

Weight, g/mol:

659.220298

ΔHf, kcal/mol:

-269.0

Dipole, Da:

5.39

IP(EA), eV:

 -8.72(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[1-phenylmethoxycarbonyloxy-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-[[4-(trifluoromethyl)benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCC(=O)NC(CNC(=O)COC1CC(N(C1)OC(=O)OCC2=CC=CC=C2)CNC3=CC=CC=N3)C(=O)O

DOS

IR

Vibrations