Geometry & MOs

Info

ID:	362739
PubChem CID:	127309284
Reduced:	S2N4O4C15H24 (1)
Stoich.:	A2B4C4D15E24 (1)
Weight, g/mol:	384.19436
ΔH_f, kcal/mol:	-146.82
Dipole, Da:	3.86
IP(EA), eV:	-9.41(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)CNC(=O)N2CCOC(C2)C3=NC=CS3

DOS

IR

Vibrations