Geometry & MOs

Info

ID:

437957

PubChem CID:

135227410

Reduced:

SN2O3F4H18C21 (1)

Stoich.:

AB2C3D4E18F21 (1)

Weight, g/mol:

449.17264

ΔHf, kcal/mol:

-266.39

Dipole, Da:

0.68

IP(EA), eV:

 -9.02(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethylidene-2-[2-oxo-6-[(3Z,5E)-2,7,7,7-tetrafluoro-6-methylhepta-1,3,5-trien-3-yl]-4H-1,3-benzoxazin-3-yl]-N'-[(E)-prop-1-enyl]ethanimidamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN2CC3=CC(=CCC3(OC2=O)C)C4=CC(=C(C=C4)OC(F)(F)F)F

DOS

IR

Vibrations