Geometry & MOs

Info

ID:	177438
PubChem CID:	76185688
Reduced:	ClNSO3H32C33 (1)
Stoich.:	ABCD3E32F33 (1)
Weight, g/mol:	244.03402
ΔH_f, kcal/mol:	-41.19
Dipole, Da:	2.08
IP(EA), eV:	-8.99(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1,3-dioxo-1,3-dithiolan-2-yl)propyl]propanedinitrile

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC(=C1)C(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC(CC=C)C(=O)O)O

DOS

IR

Vibrations