Geometry & MOs

Info

ID:	354892
PubChem CID:	127287652
Reduced:	SO3N4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	5.19
IP(EA), eV:	-9.57(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyl-4-oxopyrimidin-2-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1N2C=CC(=O)N=C2SCCN3C(=O)CNC3=O

DOS

IR

Vibrations