Geometry & MOs

Info

ID:

180976

PubChem CID:

76713040

Reduced:

FSO4N5H34C35 (1)

Stoich.:

ABC4D5E34F35 (1)

Weight, g/mol:

593.208374

ΔHf, kcal/mol:

-76.49

Dipole, Da:

8.16

IP(EA), eV:

 -8.72(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)-2H-pyrrole-4-sulfonamide

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCC2CN(CCC4=CC=CC=N4)S(=O)(=O)CCN5C(=O)C6=CC=CC=C6C5=O)N(N=C3)C7=CC=C(C=C7)F

DOS

IR

Vibrations