Geometry & MOs

Info

ID:

425105

PubChem CID:

135125179

Reduced:

SO3F5N5H18C19 (1)

Stoich.:

AB3C5D5E18F19 (1)

Weight, g/mol:

411.076152

ΔHf, kcal/mol:

-273.3

Dipole, Da:

4.83

IP(EA), eV:

 -9.3(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,5S,6R)-5-[5-[(Z)-2-(5-chloropyridin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine

Drug info:

PubChemData

Smile

CC1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCC(F)(F)F)F)F

DOS

IR

Vibrations