Geometry & MOs

Info

ID:	153486
PubChem CID:	56312713
Reduced:	N3S3O5C20H21 (1)
Stoich.:	A3B3C5D20E21 (1)
Weight, g/mol:	456.223592
ΔH_f, kcal/mol:	-130.72
Dipole, Da:	1.49
IP(EA), eV:	-8.36(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)NC3=CC=C(C=C3)C

DOS

IR

Vibrations