Geometry & MOs

Info

ID:

299637

PubChem CID:

117688242

Reduced:

N5F6O8H31C32 (1)

Stoich.:

A5B6C8D31E32 (1)

Weight, g/mol:

611.295513

ΔHf, kcal/mol:

-544.84

Dipole, Da:

4.27

IP(EA), eV:

 -8.85(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-methylcyclohexanecarbonyl)amino]-3-[[2-[1-phenylmethoxycarbonyloxy-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]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)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations