Geometry & MOs

Info

ID:	80707
PubChem CID:	49835989
Reduced:	OSN3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	589.185827
ΔH_f, kcal/mol:	13.92
Dipole, Da:	4.5
IP(EA), eV:	-8.14(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[2-[3-[3-(dimethylamino)propoxy]phenyl]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide

Drug info:

PubChemData

Smile

CCN=C1N(C(=O)/C(=C/C2=C(N(C(=C2)C)C3=CC=CC=C3)C)/S1)CC

DOS

IR

Vibrations