Geometry & MOs

Info

ID:	434934
PubChem CID:	135176031
Reduced:	ClSF2N3O4C32H36 (1)
Stoich.:	ABC2D3E4F32G36 (1)
Weight, g/mol:	202.168128
ΔH_f, kcal/mol:	-220.99
Dipole, Da:	7.3
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-methylpiperazin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

Drug info:

PubChemData

Smile

CN(C(C(=O)N1C2CCC1CC(C2)N)C(C3=CC=C(C=C3)Cl)(F)F)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6

DOS

IR

Vibrations