Geometry & MOs

Info

ID:

187589

PubChem CID:

77595273

Reduced:

BN2F3O7C29H42 (1)

Stoich.:

AB2C3D7E29F42 (1)

Weight, g/mol:

737.164126

ΔHf, kcal/mol:

-575.85

Dipole, Da:

3.74

IP(EA), eV:

 -9.94(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)CCCC2CN(CC2C(=O)O)C(=O)C(CC3=CC=C(C=C3)C(F)(F)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations