Geometry & MOs

Info

ID:	56024
PubChem CID:	17403829
Reduced:	N3O3S4C12H19 (1)
Stoich.:	A3B3C4D12E19 (1)
Weight, g/mol:	396.02556
ΔH_f, kcal/mol:	-88.02
Dipole, Da:	6.92
IP(EA), eV:	-9.03(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-bromophenyl)-1-ethylimidazol-2-yl]sulfanyl-N-carbamoylpropanamide

Drug info:

PubChemData

Smile

CCCCSC1=NN=C(S1)SCC(=O)NC2CCS(=O)(=O)C2

DOS

IR

Vibrations