Geometry & MOs

Info

ID:

164210

PubChem CID:

74382297

Reduced:

SN2F3O5H17C20 (1)

Stoich.:

AB2C3D5E17F20 (1)

Weight, g/mol:

618.272336

ΔHf, kcal/mol:

-274.84

Dipole, Da:

6.46

IP(EA), eV:

 -9.4(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[3-amino-4-[3,4-dihydro-2H-1,4-benzoxazin-6-ylsulfonyl(2-methylpropyl)amino]-1-(4-methoxyphenyl)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(C1CNC(=O)C2=C3C=COC3=CC=C2)S(=O)(=O)C4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations