Geometry & MOs

Info

ID:

425325

PubChem CID:

135125935

Reduced:

SF2N4O4C22H26 (1)

Stoich.:

AB2C4D4E22F26 (1)

Weight, g/mol:

448.149301

ΔHf, kcal/mol:

-188.04

Dipole, Da:

7.26

IP(EA), eV:

 -9.26(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(Z)-2-[3-[(5R)-3-amino-1,1-dihydroxy-2,5,6,6-tetramethyl-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(CO)OC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)[C@@]3(CS(=O)(=O)C(C(=N3)N)(C)C)C)/F

DOS

IR

Vibrations