Geometry & MOs

Info

ID:

228022

PubChem CID:

87563239

Reduced:

FO2N7C21H24 (1)

Stoich.:

AB2C7D21E24 (1)

Weight, g/mol:

593.183461

ΔHf, kcal/mol:

-43.82

Dipole, Da:

7.4

IP(EA), eV:

 -8.92(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R)-4-[(2,2-dideuterio-1,3-benzodioxol-5-yl)sulfonyl-(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

CN(C)C(=O)NC1=CC(=C(C=C1)F)NC2(NC=C(C=N2)C(=O)N)NCC3=CC=CC=C3

DOS

IR

Vibrations