Geometry & MOs

Info

ID:	419072
PubChem CID:	135107434
Reduced:	NSCl2O5C13H15 (1)
Stoich.:	ABC2D5E13F15 (1)
Weight, g/mol:	336.204907
ΔH_f, kcal/mol:	-213.27
Dipole, Da:	8.91
IP(EA), eV:	-10.14(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1Cl)S(=O)(=O)N2CC[C@@H]([C@H](C2)C(=O)O)O)Cl

DOS

IR

Vibrations