Geometry & MOs

Info

ID:	446721
PubChem CID:	135277163
Reduced:	FN4O5C32H43 (1)
Stoich.:	AB4C5D32E43 (1)
Weight, g/mol:	234.017364
ΔH_f, kcal/mol:	-241.67
Dipole, Da:	1.64
IP(EA), eV:	-8.35(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-methyl-3-(trifluoromethylsulfinyloxy)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1OCCN(CCCF)C(=O)OC(C)(C)C)C2C3=C(CCN2CC(C)C(=O)OC)C4=CC=CC=C4N3

DOS

IR

Vibrations