Geometry & MOs

Info

ID:	354900
PubChem CID:	127287660
Reduced:	SO3N4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	-80.13
Dipole, Da:	7.37
IP(EA), eV:	-9.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-1-cyclopropylpyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)CSC2=NC(=O)C=CN2C3CC3

DOS

IR

Vibrations