Geometry & MOs

Info

ID:

186916

PubChem CID:

77505426

Reduced:

ON6H22C26 (1)

Stoich.:

AB6C22D26 (1)

Weight, g/mol:

659.357051

ΔHf, kcal/mol:

160.39

Dipole, Da:

9.97

IP(EA), eV:

 -8.46(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethenyl-1-[[4-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoyl]-4-(4-phenylphenyl)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=CN(N=N3)CC4=CC5=CC=CC6=CC=CC(=N4)C65)OC

DOS

IR

Vibrations