Geometry & MOs

Info

ID:	154937
PubChem CID:	56314492
Reduced:	S2N3O4C22H27 (1)
Stoich.:	A2B3C4D22E27 (1)
Weight, g/mol:	446.112327
ΔH_f, kcal/mol:	-121.53
Dipole, Da:	7.07
IP(EA), eV:	-8.66(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)C(=O)C4CCCC4

DOS

IR

Vibrations