Geometry & MOs

Info

ID:

312204

PubChem CID:

126603579

Reduced:

SF2O2N9H27C38 (1)

Stoich.:

AB2C2D9E27F38 (1)

Weight, g/mol:

402.13036

ΔHf, kcal/mol:

95.64

Dipole, Da:

2.73

IP(EA), eV:

 -8.5(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-methylfuran-3-yl)-[[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]indazol-3-yl]amino]methanol

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NC2=NN(C3=C2C=C(C=C3)C4=CC(=NN=C4)C(=O)NC5=NN(C6=CC=CC=C65)CC7=CC=C(C=C7)F)CC8=CC=C(C=C8)F

DOS

IR

Vibrations