Geometry & MOs

Info

ID:	179165
PubChem CID:	76444703
Reduced:	O7C32H54 (1)
Stoich.:	A7B32C54 (1)
Weight, g/mol:	300.022795
ΔH_f, kcal/mol:	-367.98
Dipole, Da:	3.41
IP(EA), eV:	-9.68(0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4,4-dichloro-2-methyl-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidin-1-ium-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C)CC(C=CC1C(CC(C1CC=CCCCC(=O)OC)O)OC2CCCCO2)OC3CCCCO3

DOS

IR

Vibrations