Geometry & MOs

Info

ID:	445801
PubChem CID:	135269617
Reduced:	ClSO2N3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-10.87
Dipole, Da:	2.73
IP(EA), eV:	-8.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)C(=O)NO)C)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations