Geometry & MOs

Info

ID:	141684
PubChem CID:	52916475
Reduced:	N2O3F5H17C21 (1)
Stoich.:	A2B3C5D17E21 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-325.79
Dipole, Da:	10.49
IP(EA), eV:	-9.32(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)NC1=C(C=C2C(=C1F)N(C=C(C2=O)C(=O)O)CC3=CC=C(C=C3)C(F)(F)F)F

DOS

IR

Vibrations