Geometry & MOs

Info

ID:	167541
PubChem CID:	74844702
Reduced:	ClO3N5C23H30 (1)
Stoich.:	AB3C5D23E30 (1)
Weight, g/mol:	365.117118
ΔH_f, kcal/mol:	-70.6
Dipole, Da:	7.19
IP(EA), eV:	-9.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1,3-benzodioxole-5-sulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=N1)C2CC(N(C2)CC3=CC(=CC=C3)Cl)C(=O)NC4CCCCCC4

DOS

IR

Vibrations