Geometry & MOs

Info

ID:

168334

PubChem CID:

74953667

Reduced:

FSN3O3C22H28 (1)

Stoich.:

ABC3D3E22F28 (1)

Weight, g/mol:

631.204037

ΔHf, kcal/mol:

-108.14

Dipole, Da:

5.98

IP(EA), eV:

 -8.76(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-[2-(2-fluorophenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCC2CN(CCOC)S(=O)(=O)C)N(N=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations