Geometry & MOs

Info

ID:	243568
PubChem CID:	99226886
Reduced:	FS2N3O3C17H22 (1)
Stoich.:	AB2C3D3E17F22 (1)
Weight, g/mol:	455.115107
ΔH_f, kcal/mol:	-135.4
Dipole, Da:	4.19
IP(EA), eV:	-9.45(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,4-dimethylphenoxy)pyridin-4-yl]methyl]-3-methylsulfonyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)N(CCCNC(=O)C1=CN=C(S1)C2=CC=CC=C2F)S(=O)(=O)C

DOS

IR

Vibrations