Geometry & MOs

Info

ID:

83067

PubChem CID:

49857087

Reduced:

NS2F3O5H6C13 (1)

Stoich.:

AB2C3D5E6F13 (1)

Weight, g/mol:

599.350296

ΔHf, kcal/mol:

-213.2

Dipole, Da:

3.85

IP(EA), eV:

 -8.93(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-[5-[[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxybutan-2-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=CC(=C3S2)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations