Geometry & MOs

Info

ID:	200218
PubChem CID:	79364129
Reduced:	SN3O4C12H21 (1)
Stoich.:	AB3C4D12E21 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	-185.39
Dipole, Da:	1.7
IP(EA), eV:	-8.86(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCN1C(=O)C(CCSC)NC(=O)N)C(=O)O

DOS

IR

Vibrations