Geometry & MOs

Info

ID:	225691
PubChem CID:	87225364
Reduced:	SN6O10C28H30 (1)
Stoich.:	AB6C10D28E30 (1)
Weight, g/mol:	193.147807
ΔH_f, kcal/mol:	-332.28
Dipole, Da:	10.47
IP(EA), eV:	-8.75(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol;N-methylmethanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=N)N)N/C(=C/3\C=C(C=C(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)CC(=O)NC5[C@H]([C@@H]([C@H](OC5O)CO)O)O)/N2

DOS

IR

Vibrations