Geometry & MOs

Info

ID:	154413
PubChem CID:	56313844
Reduced:	S2O3N5H21C22 (1)
Stoich.:	A2B3C5D21E22 (1)
Weight, g/mol:	446.112327
ΔH_f, kcal/mol:	3.05
Dipole, Da:	5.63
IP(EA), eV:	-8.67(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)C4=C(C=CC=N4)C#N

DOS

IR

Vibrations