Geometry & MOs

Info

ID:

425070

PubChem CID:

135125035

Reduced:

ClSF2O2N4C19H19 (1)

Stoich.:

ABC2D2E4F19G19 (1)

Weight, g/mol:

602.181076

ΔHf, kcal/mol:

-93.8

Dipole, Da:

5.77

IP(EA), eV:

 -9.49(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-[2-[2-methyl-5-[[4-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]ethynyl]-1,3-thiazol-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)C(C(=N1)N)(C)C)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)Cl)\F)F

DOS

IR

Vibrations