Geometry & MOs

Info

ID:	153584
PubChem CID:	56312838
Reduced:	S2N3O5C20H25 (1)
Stoich.:	A2B3C5D20E25 (1)
Weight, g/mol:	460.127978
ΔH_f, kcal/mol:	-174.45
Dipole, Da:	2.1
IP(EA), eV:	-8.53(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)NC1CCCN(C1)C(=O)C2=C(C=CS2)S(=O)(=O)NC3=CC=C(C=C3)C

DOS

IR

Vibrations