Geometry & MOs

Info

ID:	148644
PubChem CID:	53788312
Reduced:	FOSCl2N2C14H15 (1)
Stoich.:	ABCD2E2F14G15 (1)
Weight, g/mol:	413.107263
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	3.88
IP(EA), eV:	-8.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2R,3S)-3-(4-fluorophenyl)morpholin-2-yl]oxyethyl]-5-(trifluoromethyl)thiobenzaldehyde

Drug info:

PubChemData

Smile

CC(C)C1=C(N=C(N1CF)CO)SC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations