Geometry & MOs

Info

ID:

299613

PubChem CID:

117688148

Reduced:

N5O9C34H41 (1)

Stoich.:

A5B9C34D41 (1)

Weight, g/mol:

543.232913

ΔHf, kcal/mol:

-296.6

Dipole, Da:

5.67

IP(EA), eV:

 -8.76(-0.63)

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-(propanoylamino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)NC(CNC(=O)COC2CC(N(C2)OC(=O)OCC3=CC=CC=C3)CNC4=NC=CC(=C4)OC)C(=O)O)C

DOS

IR

Vibrations