Geometry & MOs

Info

ID:	353358
PubChem CID:	127284687
Reduced:	N3S3O4C14H17 (1)
Stoich.:	A3B3C4D14E17 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	-98.94
Dipole, Da:	7.08
IP(EA), eV:	-9.43(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)C2=CSC(=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations