Geometry & MOs

Info

ID:

232476

PubChem CID:

87576273

Reduced:

OC6H10 (4)

Stoich.:

AB6C10 (4)

Weight, g/mol:

705.23589

ΔHf, kcal/mol:

-197.34

Dipole, Da:

5.82

IP(EA), eV:

 -10.62(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[dideuterio-(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-3-hydroxybutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)CCCCCCCCCCCCCC(C(=O)C=C)(C(=O)C=C)C(=O)O

DOS

IR

Vibrations