Geometry & MOs

Info

ID:	56653
PubChem CID:	17504728
Reduced:	ClSO3N4C23H27 (1)
Stoich.:	ABC3D4E23F27 (1)
Weight, g/mol:	427.204196
ΔH_f, kcal/mol:	-77.27
Dipole, Da:	5.01
IP(EA), eV:	-9.13(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations