Geometry & MOs

Info

ID:

86494

PubChem CID:

49886138

Reduced:

ClO2N3C14H17 (1)

Stoich.:

AB2C3D14E17 (1)

Weight, g/mol:

356.95943

ΔHf, kcal/mol:

13.73

Dipole, Da:

20.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.902818

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bromo-4,6-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)NC2=C(C=C(C=C2)OC)OC.[Cl-]

DOS

IR

Vibrations