Geometry & MOs

Info

ID:	16921
PubChem CID:	480016
Reduced:	N2O2S2C9H12 (1)
Stoich.:	A2B2C2D9E12 (1)
Weight, g/mol:	244.03402
ΔH_f, kcal/mol:	-44.1
Dipole, Da:	2.64
IP(EA), eV:	-9.21(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-2-sulfanyl-4-(2-sulfanylidenebutyl)-4H-imidazol-5-one

Drug info:

PubChemData

Smile

CCC(=S)CC1C(=O)N=C(N1C(=O)C)S

DOS

IR

Vibrations