Geometry & MOs

Info

ID:	349060
PubChem CID:	127274786
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	382.167477
ΔH_f, kcal/mol:	19.23
Dipole, Da:	4.32
IP(EA), eV:	-8.68(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)amino]-1-oxobutan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations