Geometry & MOs

Info

ID:

185576

PubChem CID:

77315043

Reduced:

ClSF2N2O6C25H29 (1)

Stoich.:

ABC2D2E6F25G29 (1)

Weight, g/mol:

630.341735

ΔHf, kcal/mol:

-335.36

Dipole, Da:

7.06

IP(EA), eV:

 -9.65(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(2,6-dimethoxyphenyl)-2-propan-2-yl-4-(prop-2-enylcarbamoyl)-1-[N-(pyrazolidine-3-carbonyl)anilino]adamantane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)C(=O)OCC(C)C(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations