Geometry & MOs

Info

ID:	154521
PubChem CID:	56313978
Reduced:	N3S3O5C21H23 (1)
Stoich.:	A3B3C5D21E23 (1)
Weight, g/mol:	458.239242
ΔH_f, kcal/mol:	-140.63
Dipole, Da:	5.34
IP(EA), eV:	-8.25(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]-N-pentylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations