Geometry & MOs

Info

ID:

425344

PubChem CID:

135125993

Reduced:

ClSF4N4O6C29H33 (1)

Stoich.:

ABC4D4E6F29G33 (1)

Weight, g/mol:

451.093282

ΔHf, kcal/mol:

-390.29

Dipole, Da:

9.88

IP(EA), eV:

 -9.41(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (4R,6R)-2-amino-4-[5-[(Z)-2-(5-chloropyridin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-4,6-dimethyl-5H-1,3-thiazine-6-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=NC(C(S1(=O)=O)(F)F)(C)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)Cl)F)F)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations