Geometry & MOs

Info

ID:	47050
PubChem CID:	10529183
Reduced:	NO2C15H20 (2)
Stoich.:	AB2C15D20 (2)
Weight, g/mol:	492.265794
ΔH_f, kcal/mol:	-154.84
Dipole, Da:	0.93
IP(EA), eV:	-8.63(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl (2S)-3-(4-hydroxyphenyl)-2-[[1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]cyclopentanecarbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CC(=O)NC(CC2CCC2)C3=CC=CC=C3N4CCCCC4)C(=O)OCC

DOS

IR

Vibrations