Geometry & MOs

Info

ID:

425201

PubChem CID:

135125508

Reduced:

OSN3F7H16C21 (1)

Stoich.:

ABC3D7E16F21 (1)

Weight, g/mol:

484.0068

ΔHf, kcal/mol:

-302.12

Dipole, Da:

3.79

IP(EA), eV:

 -9.52(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4aR,5R,7aR)-7a-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H](OC[C@@]2(N=C(S1)N)C3=C(C=CC(=C3)/C=C(/C4=NC=C(C=C4)C(F)(F)F)\F)F)C(F)F

DOS

IR

Vibrations