Geometry & MOs

Info

ID:	154927
PubChem CID:	56314477
Reduced:	S2N3O4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	454.171556
ΔH_f, kcal/mol:	-79.69
Dipole, Da:	7.82
IP(EA), eV:	-8.39(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N(C)CC3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations