Geometry & MOs

Info

ID:	174958
PubChem CID:	75839183
Reduced:	S2N3O3C18H31 (1)
Stoich.:	A2B3C3D18E31 (1)
Weight, g/mol:	416.204159
ΔH_f, kcal/mol:	-147.49
Dipole, Da:	9.73
IP(EA), eV:	-8.5(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-butyl-2-[(3-butyl-4,5-dimethyl-1H-imidazol-3-ium-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(N=C1SC(C)C(=O)N(CC)C2CCS(=O)(=O)C2)C)C

DOS

IR

Vibrations