Geometry & MOs

Info

ID:	135116
PubChem CID:	51815970
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-169.43
Dipole, Da:	7.73
IP(EA), eV:	-9.35(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(cyclohexylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-2-methyl-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations