Geometry & MOs

Info

ID:

299638

PubChem CID:

117688243

Reduced:

N5O8C31H41 (1)

Stoich.:

A5B8C31D41 (1)

Weight, g/mol:

627.199899

ΔHf, kcal/mol:

-278.63

Dipole, Da:

4.48

IP(EA), eV:

 -8.8(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(benzenesulfonamido)-3-[[2-[1-phenylmethoxycarbonyloxy-2-[(pyridin-2-ylamino)methyl]pyrrolidin-2-yl]oxyacetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1CCCCC1C(=O)NC(CNC(=O)COC2CC(N(C2)OC(=O)OCC3=CC=CC=C3)CNC4=CC=CC=N4)C(=O)O

DOS

IR

Vibrations