Geometry & MOs

Info

ID:	281505
PubChem CID:	103913965
Reduced:	ON2C8H15 (2)
Stoich.:	AB2C8D15 (2)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-108.44
Dipole, Da:	4.3
IP(EA), eV:	-9.13(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1,1-dioxothian-3-yl)amino]-2-phenylethanol

Drug info:

PubChemData

Smile

CC(C)C(CNC(C)C1=NC=CN1C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations