Geometry & MOs

Info

ID:	345792
PubChem CID:	127270092
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	350.177647
ΔH_f, kcal/mol:	40.89
Dipole, Da:	6.18
IP(EA), eV:	-9.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-imidazol-1-ylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CS2)C(=O)N3CCC(CC3)N4C=CN=C4

DOS

IR

Vibrations