Geometry & MOs

Info

ID:	134890
PubChem CID:	51775668
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	462.182458
ΔH_f, kcal/mol:	-163.7
Dipole, Da:	2.42
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxy-N-methyl-N-[(2S)-1-[(4-methylphenyl)sulfonylmethylamino]-1-oxoheptan-2-yl]benzamide

Drug info:

PubChemData

Smile

C/C=C\[C@H](C(=O)NC1CCCCC1)N(C)C(=O)C2=C(C(=CC=C2)O)O

DOS

IR

Vibrations