Geometry & MOs

Info

ID:

149764

PubChem CID:

53789440

Reduced:

N2O4C19H32 (1)

Stoich.:

A2B4C19D32 (1)

Weight, g/mol:

662.083188

ΔHf, kcal/mol:

-181.17

Dipole, Da:

5.82

IP(EA), eV:

 -9.44(0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-amino-4-cyano-2-fluoro-5-(methoxysulfinylamino)benzene;N-[4-cyano-2-fluoro-5-(methoxysulfinylamino)phenyl]-3-oxobutanamide;3-oxobutanoyl chloride

Drug info:

PubChemData

Smile

CCCCC(=O)NNC[C@H]1[C@@H]2CC[C@H]([C@@H]1CC=CCCCC(=O)O)O2

DOS

IR

Vibrations