Geometry & MOs

Info

ID:	154300
PubChem CID:	56313713
Reduced:	S2N3O3C20H27 (1)
Stoich.:	A2B3C3D20E27 (1)
Weight, g/mol:	474.143628
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	2.75
IP(EA), eV:	-8.57(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3CCN(CC3)C(C)C

DOS

IR

Vibrations