Geometry & MOs

Info

ID:	342922
PubChem CID:	127266085
Reduced:	SN2F3O5C10H11 (1)
Stoich.:	AB2C3D5E10F11 (1)
Weight, g/mol:	339.114044
ΔH_f, kcal/mol:	-264.75
Dipole, Da:	7.13
IP(EA), eV:	-10.29(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-methoxy-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]acetate

Drug info:

PubChemData

Smile

C[C@H](CNS(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])O

DOS

IR

Vibrations