Geometry & MOs

Info

ID:

299611

PubChem CID:

117688142

Reduced:

N5O8C34H41 (1)

Stoich.:

A5B8C34D41 (1)

Weight, g/mol:

659.220298

ΔHf, kcal/mol:

-246.19

Dipole, Da:

5.18

IP(EA), eV:

 -8.65(-0.43)

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-[[2-(trifluoromethyl)benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1C(CN(C1CNC2=CC=CC=N2)OC(=O)OCC3=CC=CC=C3)OCC(=O)NCC(C(=O)O)NC(=O)CCCCC4=CC=CC=C4

DOS

IR

Vibrations