Geometry & MOs

Info

ID:	140913
PubChem CID:	52783069
Reduced:	SF2N3O3C14H22 (1)
Stoich.:	AB2C3D3E14F22 (1)
Weight, g/mol:	325.191603
ΔH_f, kcal/mol:	-170.93
Dipole, Da:	6.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752761
Charge, e:	1

Chem-info

IUPAC name:

[2-(3-methoxyanilino)-2-oxoethyl]-(2-phenylethyl)-prop-2-enylazanium

Drug info:

PubChemData

Smile

C[NH+](C)CCN(CC1=CC(=C(C=C1)F)F)C(=O)CNS(=O)(=O)C

DOS

IR

Vibrations