Geometry & MOs

Info

ID:	240651
PubChem CID:	93616948
Reduced:	O2F3N3H14C15 (1)
Stoich.:	A2B3C3D14E15 (1)
Weight, g/mol:	315.114044
ΔH_f, kcal/mol:	-152.19
Dipole, Da:	5.14
IP(EA), eV:	-9.9(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfonylpropanamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=NOC(=C2)C3=CN=CC=C3)C(F)(F)F

DOS

IR

Vibrations