Geometry & MOs

Info

ID:	134782
PubChem CID:	51754697
Reduced:	SN2O5C27H38 (1)
Stoich.:	AB2C5D27E38 (1)
Weight, g/mol:	510.345758
ΔH_f, kcal/mol:	-212.27
Dipole, Da:	8.13
IP(EA), eV:	-9.09(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-hexyl-N-[(1S)-1-(3-hydroxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-2-methoxy-2-phenylacetamide

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