Geometry & MOs

Info

ID:

184731

PubChem CID:

77200377

Reduced:

SF4O4N5C20H23 (1)

Stoich.:

AB4C4D5E20F23 (1)

Weight, g/mol:

502.205005

ΔHf, kcal/mol:

-298.19

Dipole, Da:

5.95

IP(EA), eV:

 -9.24(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-fluoro-2-[8-[(4-hydroxy-3-propan-2-yloxyphenyl)methyl]-3,7-dimethyl-2,2-dioxo-2lambda6-thia-1,3,8-triazaspiro[4.5]decan-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1CC2(CCN1CC3=NC=C(C(=N3)OC(F)(F)F)O)CN(S(=O)(=O)N2C4=CC(=CC=C4)F)C

DOS

IR

Vibrations