Geometry & MOs

Info

ID:	130547
PubChem CID:	51091180
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	333.084636
ΔH_f, kcal/mol:	-8.0
Dipole, Da:	5.7
IP(EA), eV:	-8.95(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(difluoromethoxy)phenyl]-N-(3-methylsulfonylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC2=NN(C(=O)N2C=C1)CCNC(=O)CCCC3=CC=CS3

DOS

IR

Vibrations