Geometry & MOs

Info

ID:	149736
PubChem CID:	53789411
Reduced:	NSCl2O2H11C16 (1)
Stoich.:	ABC2D2E11F16 (1)
Weight, g/mol:	519.117472
ΔH_f, kcal/mol:	0.47
Dipole, Da:	1.86
IP(EA), eV:	-9.25(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-N-[(1S)-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]formamide

Drug info:

PubChemData

Smile

COC(=S)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)C#N

DOS

IR

Vibrations