Geometry & MOs

Info

ID:	321220
PubChem CID:	126665389
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	392.071477
ΔH_f, kcal/mol:	105.16
Dipole, Da:	9.03
IP(EA), eV:	-8.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-cyclopropyl-5-[(2,5-dichloropyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ium-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC=CC=C2.C(=O)(N)N.C(=O)(N)N

DOS

IR

Vibrations