Geometry & MOs

Info

ID:

426349

PubChem CID:

135143546

Reduced:

BrSF2O3N6C25H25 (1)

Stoich.:

ABC2D3E6F25G25 (1)

Weight, g/mol:

486.164952

ΔHf, kcal/mol:

-54.16

Dipole, Da:

6.57

IP(EA), eV:

 -9.41(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CC1(C(=N[C@](CS1(=O)=O)(C=C)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)OCCN4C=C(C=N4)Br)\F)F)N)C

DOS

IR

Vibrations