Geometry & MOs

Info

ID:	323087
PubChem CID:	126672204
Reduced:	ON2C7H12 (1)
Stoich.:	AB2C7D12 (1)
Weight, g/mol:	411.149128
ΔH_f, kcal/mol:	-32.13
Dipole, Da:	2.28
IP(EA), eV:	-9.21(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5R)-5-[[(R)-butylsulfinyl]amino]-2,4,4-trifluoro-5-(2-fluorophenyl)hexanoate

Drug info:

PubChemData

Smile

CC1=NC2CCOCC2N1

DOS

IR

Vibrations