Geometry & MOs

Info

ID:	148291
PubChem CID:	53787953
Reduced:	SC11H14 (1)
Stoich.:	AB11C14 (1)
Weight, g/mol:	511.290005
ΔH_f, kcal/mol:	25.91
Dipole, Da:	1.46
IP(EA), eV:	-8.26(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-1-[4-[1-tri(propan-2-yl)silylpyrrol-3-yl]piperidin-1-yl]sulfonylpiperidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCSC1=CC=C(C=C1)C=C

DOS

IR

Vibrations