Geometry & MOs

Info

ID:	154317
PubChem CID:	56313731
Reduced:	N3O3S3C23H25 (1)
Stoich.:	A3B3C3D23E25 (1)
Weight, g/mol:	401.127249
ΔH_f, kcal/mol:	-53.01
Dipole, Da:	1.87
IP(EA), eV:	-8.42(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-methyl-N-(1-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC3=CC=C(C=C3)N4CCSCC4

DOS

IR

Vibrations