Geometry & MOs

Info

ID:

311429

PubChem CID:

126592657

Reduced:

NH41C54 (1)

Stoich.:

AB41C54 (1)

Weight, g/mol:

334.14749

ΔHf, kcal/mol:

181.27

Dipole, Da:

2.59

IP(EA), eV:

 -8.0(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,5R)-N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-3-propan-2-yloxy-5-sulfamoylpiperidine-1-carboximidamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC(=C(C=C6)C7=CC8=C(C=C7)C(C9=CC=CC=C98)CCC1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations