Geometry & MOs

Info

ID:	425096
PubChem CID:	135125162
Reduced:	SO3N4F5H17C19 (1)
Stoich.:	AB3C4D5E17F19 (1)
Weight, g/mol:	305.123878
ΔH_f, kcal/mol:	-286.44
Dipole, Da:	2.25
IP(EA), eV:	-9.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[(1S)-1-[4-(1-hydroxy-3-methoxypropyl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)C=C(C3=NC=C(C=C3)OC(F)(F)F)F)F

DOS

IR

Vibrations