Geometry & MOs

Info

ID:	152778
PubChem CID:	56311846
Reduced:	SN3O5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	455.04021
ΔH_f, kcal/mol:	-161.06
Dipole, Da:	4.72
IP(EA), eV:	-8.84(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)NC4=O

DOS

IR

Vibrations