Geometry & MOs

Info

ID:	145746
PubChem CID:	53586426
Reduced:	O2S2N4C13H24 (1)
Stoich.:	A2B2C4D13E24 (1)
Weight, g/mol:	344.10062
ΔH_f, kcal/mol:	-72.98
Dipole, Da:	4.0
IP(EA), eV:	-8.49(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclopropyl-N-(2,2-difluoroethyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N1CCC(CC1)C2=NNC(=S)N2CC

DOS

IR

Vibrations