Geometry & MOs

Info

ID:	50037
PubChem CID:	11538938
Reduced:	SN4C24H40 (1)
Stoich.:	AB4C24D40 (1)
Weight, g/mol:	416.285905
ΔH_f, kcal/mol:	1.03
Dipole, Da:	1.31
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R,6S)-1-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-3-prop-2-enylpiperazin-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSC1=CC=CC(=N1)N2C(=CC(=N2)C(C)(C)C)N

DOS

IR

Vibrations