Geometry & MOs

Info

ID:	399611
PubChem CID:	135041242
Reduced:	NSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	278.112979
ΔH_f, kcal/mol:	-61.56
Dipole, Da:	3.14
IP(EA), eV:	-8.81(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-benzyl-1,1,1-trifluoro-4,4-dimethoxybutan-2-ol

Drug info:

PubChemData

Smile

CC=C(C(=O)NC1=CC=CC=C1)SCCO

DOS

IR

Vibrations