Geometry & MOs

Info

ID:

425345

PubChem CID:

135125994

Reduced:

ClSF2O2N3H20C21 (1)

Stoich.:

ABC2D2E3F20G21 (1)

Weight, g/mol:

451.093282

ΔHf, kcal/mol:

-113.11

Dipole, Da:

2.19

IP(EA), eV:

 -9.36(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (4S,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

C[C@@]1(C[C@](SC(=N1)N)(C)C(=O)OC)C2=C(C=CC(=C2)/C=C(/C3=NC=C(C=C3)Cl)\F)F

DOS

IR

Vibrations