Geometry & MOs

Info

ID:	200236
PubChem CID:	79369213
Reduced:	BrNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	315.088892
ΔH_f, kcal/mol:	-184.24
Dipole, Da:	4.59
IP(EA), eV:	-9.71(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCN1S(=O)(=O)C2=CC(=C(C=C2)OC)Br)C(=O)O

DOS

IR

Vibrations