Geometry & MOs

Info

ID:	243581
PubChem CID:	99226946
Reduced:	FOSN4H15C20 (1)
Stoich.:	ABCD4E15F20 (1)
Weight, g/mol:	471.110021
ΔH_f, kcal/mol:	31.46
Dipole, Da:	7.15
IP(EA), eV:	-8.98(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfonyl-5-nitro-N-[[6-(2-phenoxyethoxy)pyridin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=CC(=CC=C2)NC(=O)C3=CN=C(S3)C4=CC=CC=C4F

DOS

IR

Vibrations