Geometry & MOs

Info

ID:	158670
PubChem CID:	56464558
Reduced:	BrN2S3O5C14H21 (1)
Stoich.:	AB2C3D5E14F21 (1)
Weight, g/mol:	464.088951
ΔH_f, kcal/mol:	-178.78
Dipole, Da:	10.56
IP(EA), eV:	-9.86(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-carboxy-4,6-dimethoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations