Geometry & MOs

Info

ID:	242946
PubChem CID:	99214423
Reduced:	FSO3N4C23H27 (1)
Stoich.:	ABC3D4E23F27 (1)
Weight, g/mol:	434.06636
ΔH_f, kcal/mol:	-135.27
Dipole, Da:	3.43
IP(EA), eV:	-8.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-bromophenyl)-2-methylpropanoyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)NC2=CC=CC=C2F)C(=O)N3CCC(CC3)NC(=O)C4=CSC=C4

DOS

IR

Vibrations