Geometry & MOs

Info

ID:	228493
PubChem CID:	87564902
Reduced:	OF3H5C9 (1)
Stoich.:	AB3C5D9 (1)
Weight, g/mol:	592.177184
ΔH_f, kcal/mol:	-126.74
Dipole, Da:	2.18
IP(EA), eV:	-10.32(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1/C=C/C=O)F)F)F

DOS

IR

Vibrations