Geometry & MOs

Info

ID:	68712
PubChem CID:	46508959
Reduced:	N2S3O4H16C17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	452.134068
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	5.56
IP(EA), eV:	-9.35(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CSC(=N2)C3=CC=CS3

DOS

IR

Vibrations