Geometry & MOs

Info

ID:	143032
PubChem CID:	53135606
Reduced:	ClN3O3H22C25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	479.199111
ΔH_f, kcal/mol:	-46.5
Dipole, Da:	7.32
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenylpiperazin-1-yl)-[1-(4-piperidin-1-ylsulfonylphenyl)imidazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(C(=O)C(=O)N1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations