Geometry & MOs

Info

ID:	397622
PubChem CID:	135030483
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	282.128966
ΔH_f, kcal/mol:	-120.98
Dipole, Da:	3.51
IP(EA), eV:	-8.95(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-propan-2-ylsulfinylphenyl)methoxy]oxane

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CC(C2=C(C1=O)C3=CC=CC=C3N2)CO

DOS

IR

Vibrations