Geometry & MOs

Info

ID:	202548
PubChem CID:	79684993
Reduced:	ClISO2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	319.066048
ΔH_f, kcal/mol:	-8.84
Dipole, Da:	5.64
IP(EA), eV:	-9.49(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-methyl-4-N-[(3S)-pyrrolidin-3-yl]benzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)C2=CSC(=C2)I)Cl

DOS

IR

Vibrations