Geometry & MOs

Info

ID:	161834
PubChem CID:	57392809
Reduced:	SF2N5O5C37H39 (1)
Stoich.:	AB2C5D5E37F39 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-203.85
Dipole, Da:	7.61
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylphenyl)-2-oxoethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=N1)OC2=CC=C(C=C2)S(=O)(=O)C)CN3CCC(CC3)N4[C@@H](CN(C4=O)C5=C(C=C(C(=C5)C(=O)N)F)F)C6=CC=CC=C6

DOS

IR

Vibrations