Geometry & MOs

Info

ID:	152633
PubChem CID:	56311635
Reduced:	SN4O4C24H32 (1)
Stoich.:	AB4C4D24E32 (1)
Weight, g/mol:	465.193153
ΔH_f, kcal/mol:	-129.2
Dipole, Da:	5.81
IP(EA), eV:	-8.92(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3S(=O)(=O)N(C)C

DOS

IR

Vibrations