Geometry & MOs

Info

ID:

180113

PubChem CID:

76579959

Reduced:

NPtC22H28 (1)

Stoich.:

ABC22D28 (1)

Weight, g/mol:

608.309766

ΔHf, kcal/mol:

212.84

Dipole, Da:

1.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.878336

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-(1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl)amino]methyl]phenoxy]pentanoic acid

Drug info:

PubChemData

Smile

CCC[CH2-].CCC[CH2-].C1=CC=C2C(=C1)C=CC=C2N3C=CC=[C-]3.[Pt]

DOS

IR

Vibrations