Geometry & MOs

Info

ID:

323685

PubChem CID:

126675739

Reduced:

N3O7C12H25 (1)

Stoich.:

A3B7C12D25 (1)

Weight, g/mol:

1032.4799

ΔHf, kcal/mol:

-318.57

Dipole, Da:

6.56

IP(EA), eV:

 -9.86(1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-(hydrazinecarbonyl)-4-[3-[[4-[[3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methyl]pyrazol-1-yl]methyl]phenoxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C([C@@H](C1N)O[C@@H]2C(C([C@@H](C(O2)CO)O)O)N)O)O)N

DOS

IR

Vibrations