Geometry & MOs

Info

ID:

173443

PubChem CID:

75638948

Reduced:

SN2H13C16 (1)

Stoich.:

AB2C13D16 (1)

Weight, g/mol:

324.100261

ΔHf, kcal/mol:

113.16

Dipole, Da:

4.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.979396

Charge, e:

 -1

Chem-info

IUPAC name:

4-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(=N2)[S-])C3=CC=CC=C3

DOS

IR

Vibrations