Geometry & MOs

Info

ID:	310013
PubChem CID:	126572795
Reduced:	NSO4C11H17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	362.179442
ΔH_f, kcal/mol:	-166.55
Dipole, Da:	5.33
IP(EA), eV:	-9.64(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-(4-fluorophenyl)-5-(2-methylpyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)COS(=O)(=O)C)OC(C)C

DOS

IR

Vibrations