Geometry & MOs

Info

ID:	318856
PubChem CID:	126653544
Reduced:	FN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	398.227952
ΔH_f, kcal/mol:	-149.83
Dipole, Da:	4.69
IP(EA), eV:	-9.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-2-(3-thiophen-2-ylpropyl)hex-5-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)/C=C\1/C=C(N=CN1)OCC2=CC=C(C=C2)F

DOS

IR

Vibrations