Geometry & MOs

Info

ID:	179453
PubChem CID:	76485250
Reduced:	ClS2N5O9C24H28 (1)
Stoich.:	AB2C5D9E24F28 (1)
Weight, g/mol:	435.9718
ΔH_f, kcal/mol:	-327.37
Dipole, Da:	1.25
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-bromo-4-(3,4-dichlorophenyl)-4-oxobutanoyl]-2-methylpyrrolidin-1-ium-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1C=C(CC1C(=O)O)NS(=O)(=O)C2=C(C=C(C(=C2)S(=O)(=O)N)N)Cl)NC(CCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations