Geometry & MOs

Info

ID:

184994

PubChem CID:

77238893

Reduced:

ClNO10C31H34 (1)

Stoich.:

ABC10D31E34 (1)

Weight, g/mol:

501.170926

ΔHf, kcal/mol:

-402.03

Dipole, Da:

2.95

IP(EA), eV:

 -8.35(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[[1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxypropyl)ethanesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC2=CN(C3=C2C(=CC=C3)Cl)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations