Geometry & MOs

Info

ID:	157411
PubChem CID:	56424030
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	300.129634
ΔH_f, kcal/mol:	-49.88
Dipole, Da:	7.86
IP(EA), eV:	-9.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(6-methylsulfanylpyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)CCCNC(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations