Geometry & MOs

Info

ID:	343736
PubChem CID:	127266912
Reduced:	FSN4O4C12H13 (1)
Stoich.:	ABC4D4E12F13 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-56.13
Dipole, Da:	8.39
IP(EA), eV:	-8.72(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(oxan-2-yloxy)ethylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)S(=O)(=O)N(C)C2=NN(C=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations