Geometry & MOs

Info

ID:

445542

PubChem CID:

135267835

Reduced:

SN3O4F6H25C31 (1)

Stoich.:

AB3C4D6E25F31 (1)

Weight, g/mol:

574.06389

ΔHf, kcal/mol:

-341.76

Dipole, Da:

6.18

IP(EA), eV:

 -8.57(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[5-[2-[[(Z)-2-amino-1-[4-(trifluoromethoxy)phenyl]ethenyl]amino]-4-bromophenyl]-1-methylpyrazol-3-yl]-2,2-difluoroacetate

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2=C(C=CC(=C2)C3=CC(=C(C(=C3)SC)CO)F)C4=CC(=NN4C)C(CO)(F)F)C5=CC(=C(C=C5)OC(F)F)F

DOS

IR

Vibrations