Geometry & MOs

Info

ID:

379130

PubChem CID:

134353474

Reduced:

SN4H36C54 (1)

Stoich.:

AB4C36D54 (1)

Weight, g/mol:

507.305684

ΔHf, kcal/mol:

358.11

Dipole, Da:

3.07

IP(EA), eV:

 -7.82(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl (2R)-2-[3-[[9-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoylamino]methyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C2/C(=C\C=C)/C3=CC=CC=C3N2C4=CC=CC=C4C15C6=C(C7=C(C=C6)N(C8=CC=CC=C87)C9=NC(=CC(=N9)C1=CC=CC=C1)C1=CC=CC=C1)SC1=CC=CC=C51

DOS

IR

Vibrations