Geometry & MOs

Info

ID:	43560
PubChem CID:	10321468
Reduced:	SCl2N2O4H14C20 (1)
Stoich.:	AB2C2D4E14F20 (1)
Weight, g/mol:	449.142563
ΔH_f, kcal/mol:	-81.65
Dipole, Da:	5.97
IP(EA), eV:	-8.86(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[(4-methylphenyl)methyl]anilino]acetate

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)S(=O)(=O)NC3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4N2C=O

DOS

IR

Vibrations