Geometry & MOs

Info

ID:	134827
PubChem CID:	51765137
Reduced:	O2N3C24H39 (1)
Stoich.:	A2B3C24D39 (1)
Weight, g/mol:	523.214092
ΔH_f, kcal/mol:	-125.59
Dipole, Da:	3.16
IP(EA), eV:	-9.47(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-N-[(1S)-1-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1CCCCC1)C(=O)NC(C)(C)C)C(=O)C2=CN=CC=C2

DOS

IR

Vibrations