Geometry & MOs

Info

ID:	151772
PubChem CID:	56310573
Reduced:	SN2O5C22H30 (1)
Stoich.:	AB2C5D22E30 (1)
Weight, g/mol:	465.139213
ΔH_f, kcal/mol:	-155.63
Dipole, Da:	5.45
IP(EA), eV:	-7.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclopropyl-1-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

CCOCCOC1=CC=C(C=C1)S(=O)(=O)NCC2CCN(C2)C3=CC=CC=C3OC

DOS

IR

Vibrations