Geometry & MOs

Info

ID:	135526
PubChem CID:	51886551
Reduced:	FSN2O4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	397.203528
ΔH_f, kcal/mol:	-122.29
Dipole, Da:	4.82
IP(EA), eV:	-9.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-4,5-dimethylphenol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CSC(=N2)COC3=CC=C(C=C3)F

DOS

IR

Vibrations