Geometry & MOs

Info

ID:	183132
PubChem CID:	76981929
Reduced:	ClSN3O3H12C13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	353.02627
ΔH_f, kcal/mol:	-54.15
Dipole, Da:	4.08
IP(EA), eV:	-9.0(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)O)C(=O)C=CC2=C(N=C3N2C=CS3)Cl

DOS

IR

Vibrations