Geometry & MOs

Info

ID:

299608

PubChem CID:

117688133

Reduced:

SN5O9C33H41 (1)

Stoich.:

AB5C9D33E41 (1)

Weight, g/mol:

585.279863

ΔHf, kcal/mol:

-304.94

Dipole, Da:

8.47

IP(EA), eV:

 -8.33(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NCC2CC(CN2OC(=O)OCC3=CC=CC=C3)OCC(=O)NCC(C(=O)O)NS(=O)(=O)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations