Geometry & MOs

Info

ID:	229236
PubChem CID:	87567234
Reduced:	O5C9H20 (1)
Stoich.:	A5B9C20 (1)
Weight, g/mol:	407.140259
ΔH_f, kcal/mol:	-253.35
Dipole, Da:	5.34
IP(EA), eV:	-9.9(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenoxycarbothioyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC(C)C(=O)O.CC(CO)O

DOS

IR

Vibrations