Geometry & MOs

Info

ID:	203981
PubChem CID:	79896400
Reduced:	FSN2O3C11H15 (1)
Stoich.:	ABC2D3E11F15 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-157.2
Dipole, Da:	5.85
IP(EA), eV:	-9.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[pentyl(propan-2-yl)amino]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1S(=O)(=O)N2CCC(C2)O)N)F

DOS

IR

Vibrations