Geometry & MOs

Info

ID:	160336
PubChem CID:	57309683
Reduced:	NO6C32H47 (1)
Stoich.:	AB6C32D47 (1)
Weight, g/mol:	396.171893
ΔH_f, kcal/mol:	-236.67
Dipole, Da:	7.57
IP(EA), eV:	-7.94(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]sulfonylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)C1(C(CCC2=CC(=C(C=C21)OC)OC)CCN(C)CCCCC3=CC(=C(C=C3)OC)OC)CC(=O)O

DOS

IR

Vibrations