Geometry & MOs

Info

ID:	176685
PubChem CID:	76082804
Reduced:	SO10C12H22 (1)
Stoich.:	AB10C12D22 (1)
Weight, g/mol:	403.07831
ΔH_f, kcal/mol:	-447.89
Dipole, Da:	1.54
IP(EA), eV:	-9.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzyl-4-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CS)O)O)O)O

DOS

IR

Vibrations