Geometry & MOs

Info

ID:	346011
PubChem CID:	127270328
Reduced:	OSN5C15H17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	385.239913
ΔH_f, kcal/mol:	45.18
Dipole, Da:	2.8
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=CN=C2)C(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations