Geometry & MOs

Info

ID:	242943
PubChem CID:	99214413
Reduced:	SF2N3O3H21C22 (1)
Stoich.:	AB2C3D3E21F22 (1)
Weight, g/mol:	446.166414
ΔH_f, kcal/mol:	-142.76
Dipole, Da:	6.64
IP(EA), eV:	-9.3(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(2,5-dimethylbenzoyl)benzoyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CSC=C2)C(=O)CCC3=NC=C(O3)C4=C(C=CC=C4F)F

DOS

IR

Vibrations