Geometry & MOs

Info

ID:	242945
PubChem CID:	99214421
Reduced:	BrSN2O3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	458.17879
ΔH_f, kcal/mol:	-79.64
Dipole, Da:	5.12
IP(EA), eV:	-9.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2-fluorophenyl)-3-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CSC=C2)C(=O)CCOC3=CC=C(C=C3)Br

DOS

IR

Vibrations