Geometry & MOs

Info

ID:	272077
PubChem CID:	103723332
Reduced:	ClNSO2F3H7C8 (1)
Stoich.:	ABCD2E3F7G8 (1)
Weight, g/mol:	227.113313
ΔH_f, kcal/mol:	-223.27
Dipole, Da:	5.44
IP(EA), eV:	-9.97(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3,3-trifluoro-2-hydroxypropyl)hexanamide

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)C(=O)NCC(C(F)(F)F)O

DOS

IR

Vibrations