Geometry & MOs

Info

ID:

147078

PubChem CID:

53786711

Reduced:

SiO2H34C42 (1)

Stoich.:

AB2C34D42 (1)

Weight, g/mol:

623.357051

ΔHf, kcal/mol:

76.14

Dipole, Da:

2.16

IP(EA), eV:

 -8.47(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(2,2-dimethylpropanoyloxy)-5-[1-hydroxy-2-[[2-methyl-1-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(C(=C([Si]2(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)OC)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations