Geometry & MOs

Info

ID:

228268

PubChem CID:

87563780

Reduced:

SO6H12C15 (1)

Stoich.:

AB6C12D15 (1)

Weight, g/mol:

593.183461

ΔHf, kcal/mol:

-162.13

Dipole, Da:

5.66

IP(EA), eV:

 -9.3(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl-(1,1-dideuterio-2-methylpropyl)amino]-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1C2=CC(=CC=C2)S(=O)(=O)OC3=C(C=CC=C3O1)CC(=O)O

DOS

IR

Vibrations