Geometry & MOs

Info

ID:	445800
PubChem CID:	135269610
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	405.127776
ΔH_f, kcal/mol:	-16.12
Dipole, Da:	4.7
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(4-chlorophenyl)sulfanyl-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)C(=O)NO)C)C(=O)C3=CC=CC(=C3)C4=CC=NC=C4

DOS

IR

Vibrations