Geometry & MOs

Info

ID:	134781
PubChem CID:	51754696
Reduced:	SN2O5C27H38 (1)
Stoich.:	AB2C5D27E38 (1)
Weight, g/mol:	502.250144
ΔH_f, kcal/mol:	-212.63
Dipole, Da:	6.71
IP(EA), eV:	-9.28(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-N-[(1R)-1-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=C(C=C1)O)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)CC(C)C

DOS

IR

Vibrations