Geometry & MOs

Info

ID:	227564
PubChem CID:	87561998
Reduced:	S2F3N5O7H32C34 (1)
Stoich.:	A2B3C5D7E32F34 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-259.63
Dipole, Da:	9.17
IP(EA), eV:	-8.76(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[2-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=CC2=C1C=C(C=C2)ON(C3=CN=CC=C3)S(=O)(=O)C4=C(SC=C4)C(=O)OC)C(=O)N5CCN(CC5)CC6=CC=C(C=C6)OCC(F)(F)F

DOS

IR

Vibrations