Geometry & MOs

Info

ID:	153198
PubChem CID:	56312351
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	436.122356
ΔH_f, kcal/mol:	-135.74
Dipole, Da:	6.58
IP(EA), eV:	-8.47(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations