Geometry & MOs

Info

ID:	383123
PubChem CID:	134974679
Reduced:	SN2O5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	101.047678
ΔH_f, kcal/mol:	-157.07
Dipole, Da:	5.42
IP(EA), eV:	-9.92(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC3(C=CC(=O)C=C3)N(C2=O)CCCO

DOS

IR

Vibrations