Geometry & MOs

Info

ID:	233950
PubChem CID:	92297411
Reduced:	ClN3O3C11H14 (1)
Stoich.:	AB3C3D11E14 (1)
Weight, g/mol:	404.202131
ΔH_f, kcal/mol:	-50.8
Dipole, Da:	3.5
IP(EA), eV:	-10.23(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[(1S)-1-hydroxyethyl]-6-(2-hydroxypropan-2-yl)phenyl]sulfanyl-3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)NCCCl

DOS

IR

Vibrations