Geometry & MOs

Info

ID:

299606

PubChem CID:

117688129

Reduced:

N5O8C31H35 (1)

Stoich.:

A5B8C31D35 (1)

Weight, g/mol:

627.214069

ΔHf, kcal/mol:

-233.85

Dipole, Da:

8.72

IP(EA), eV:

 -8.66(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2,6-difluorobenzoyl)amino]-3-[[2-[1-phenylmethoxycarbonyloxy-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC(CNC(=O)COC2CC(N(C2)OC(=O)OCC3=CC=CC=C3)CNC4=CC=CC=N4)C(=O)O

DOS

IR

Vibrations