Geometry & MOs

Info

ID:

180974

PubChem CID:

76713038

Reduced:

SF2N4O4H34C36 (1)

Stoich.:

AB2C4D4E34F36 (1)

Weight, g/mol:

554.235162

ΔHf, kcal/mol:

-132.78

Dipole, Da:

8.05

IP(EA), eV:

 -8.71(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4a-methyl-1-phenyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl)methyl]-N-[2-(2-hydroxyphenyl)ethyl]-1-pyridin-3-ylmethanesulfonamide

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCC2CN(CCC4=CC=CC=C4F)S(=O)(=O)CCN5C(=O)C6=CC=CC=C6C5=O)N(N=C3)C7=CC=C(C=C7)F

DOS

IR

Vibrations