Geometry & MOs

Info

ID:	423673
PubChem CID:	135119969
Reduced:	ClSN4O4C12H19 (1)
Stoich.:	ABC4D4E12F19 (1)
Weight, g/mol:	311.151288
ΔH_f, kcal/mol:	-128.17
Dipole, Da:	9.7
IP(EA), eV:	-9.67(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(5-chloro-2-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)Cl

DOS

IR

Vibrations