Geometry & MOs

Info

ID:	270801
PubChem CID:	103638185
Reduced:	OSN2F3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	402.00521
ΔH_f, kcal/mol:	-159.73
Dipole, Da:	2.38
IP(EA), eV:	-9.12(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(2-iodophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CN(CCO)CC(F)(F)F

DOS

IR

Vibrations