Geometry & MOs

Info

ID:	60671
PubChem CID:	26697382
Reduced:	NSF3O4C14H16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	325.14895
ΔH_f, kcal/mol:	-314.09
Dipole, Da:	7.86
IP(EA), eV:	-10.18(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclopentyl-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)OCC(F)(F)F

DOS

IR

Vibrations