Geometry & MOs

Info

ID:	138550
PubChem CID:	52384193
Reduced:	FNOSC15H24 (1)
Stoich.:	ABCDE15F24 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	2.89
IP(EA), eV:	-8.66(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclooctyl-N-[(2S)-2-hydroxy-2-phenylethyl]butanediamide

Drug info:

PubChemData

Smile

CC[C@H](CO)N(CCCSC)CC1=CC=C(C=C1)F

DOS

IR

Vibrations