Geometry & MOs

Info

ID:	447192
PubChem CID:	135281063
Reduced:	S8C13H28 (1)
Stoich.:	A8B13C28 (1)
Weight, g/mol:	278.051441
ΔH_f, kcal/mol:	-19.83
Dipole, Da:	1.3
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(SC[C@H](CS)SCCS)SCC(CS)SCCS

DOS

IR

Vibrations