Geometry & MOs

Info

ID:	167534
PubChem CID:	74844252
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	358.114676
ΔH_f, kcal/mol:	-79.14
Dipole, Da:	3.06
IP(EA), eV:	-8.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopentyl-[4-(4-methylphenyl)sulfonyl-1,1-dioxothiolan-3-yl]azanium

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)C2=CC=CC3=C2OC(C3)CNC(=O)C4CCC(=O)N4)C

DOS

IR

Vibrations