Geometry & MOs

Info

ID:

177553

PubChem CID:

76199439

Reduced:

FSN3O5C29H34 (1)

Stoich.:

ABC3D5E29F34 (1)

Weight, g/mol:

578.212044

ΔHf, kcal/mol:

-198.97

Dipole, Da:

6.08

IP(EA), eV:

 -8.88(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[8-(cyclohexen-1-yl)-2-(1-hydroxypropan-2-yl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3C)OC1CN(C)C(=O)NC4=CC=C(C=C4)F)C(C)CO

DOS

IR

Vibrations