Geometry & MOs

Info

ID:

16293

PubChem CID:

463712

Reduced:

SF2O3N7H23C24 (1)

Stoich.:

AB2C3D7E23F24 (1)

Weight, g/mol:

527.155115

ΔHf, kcal/mol:

-9.25

Dipole, Da:

10.3

IP(EA), eV:

 -7.43(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-3-[[[2-[4-[amino(nitroso)methylidene]cyclohexa-2,5-dien-1-ylidene]-4-methyl-1,3-thiazol-5-ylidene]-hydroxymethyl]amino]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

CC1=NC(=C2C=CC(=C(N)N=O)C=C2)SC1=C(N[C@@H](C)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O)O

DOS

IR

Vibrations