Geometry & MOs

Info

ID:	56000
PubChem CID:	17398285
Reduced:	SO2N5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	339.0041
ΔH_f, kcal/mol:	14.55
Dipole, Da:	3.8
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-bromophenyl)-1-methylimidazol-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

DOS

IR

Vibrations