Geometry & MOs

Info

ID:	354904
PubChem CID:	127287664
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	336.161997
ΔH_f, kcal/mol:	-10.7
Dipole, Da:	6.54
IP(EA), eV:	-8.22(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=NC(=O)C=CN2C3CC3

DOS

IR

Vibrations