Geometry & MOs

Info

ID:	134780
PubChem CID:	51754695
Reduced:	N2O3C23H38 (1)
Stoich.:	A2B3C23D38 (1)
Weight, g/mol:	502.250144
ΔH_f, kcal/mol:	-182.64
Dipole, Da:	2.89
IP(EA), eV:	-9.03(0.04)
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]-3-methylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations