Geometry & MOs

Info

ID:

189789

PubChem CID:

77905469

Reduced:

NO2C10H13 (2)

Stoich.:

AB2C10D13 (2)

Weight, g/mol:

707.277812

ΔHf, kcal/mol:

-146.14

Dipole, Da:

5.21

IP(EA), eV:

 -8.44(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-phenylmethoxy-2-[[3-phenyl-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(C)C(=O)OC2=CC=CC=C2)C.C(C(=O)O)N

DOS

IR

Vibrations