Geometry & MOs

Info

ID:	263316
PubChem CID:	103355566
Reduced:	ON2C9H20 (1)
Stoich.:	AB2C9D20 (1)
Weight, g/mol:	410.96374
ΔH_f, kcal/mol:	-68.56
Dipole, Da:	1.18
IP(EA), eV:	-8.79(2.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-2-iodobenzoic acid

Drug info:

PubChemData

Smile

CCC(CN)N1CCC(C1)(C)O

DOS

IR

Vibrations