Geometry & MOs

Info

ID:	375770
PubChem CID:	134221760
Reduced:	SN2F3O3C21H23 (1)
Stoich.:	AB2C3D3E21F23 (1)
Weight, g/mol:	327.055227
ΔH_f, kcal/mol:	-220.5
Dipole, Da:	2.16
IP(EA), eV:	-8.44(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[[4-[(1S)-3-fluoro-1-hydroxypropyl]phenyl]-methyl-oxo-lambda6-sulfanylidene]acetamide

Drug info:

PubChemData

Smile

CC1(N(C(C(O1)C2=CC=C(C=C2)C3=CN=C(C=C3)CS(=O)C)CF)C(=O)C(F)F)C

DOS

IR

Vibrations