Geometry & MOs

Info

ID:

425260

PubChem CID:

135125696

Reduced:

SF2O4N5C21H25 (1)

Stoich.:

AB2C4D5E21F25 (1)

Weight, g/mol:

600.17626

ΔHf, kcal/mol:

-167.77

Dipole, Da:

6.49

IP(EA), eV:

 -9.28(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl (4R)-2-amino-4-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-5,5-difluoro-4-methyl-1,3-oxazine-6,6-dicarboxylate

Drug info:

PubChemData

Smile

CC(COC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)[C@@]3(CS(=O)(=O)N(C(=N3)N)C)C)/F)OC

DOS

IR

Vibrations