Geometry & MOs

Info

ID:	153085
PubChem CID:	56312217
Reduced:	SN3O5C21H31 (1)
Stoich.:	AB3C5D21E31 (1)
Weight, g/mol:	429.181919
ΔH_f, kcal/mol:	-201.04
Dipole, Da:	6.07
IP(EA), eV:	-8.6(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations