Geometry & MOs

Info

ID:	373610
PubChem CID:	131317794
Reduced:	ClSN2O3H5C7 (1)
Stoich.:	ABC2D3E5F7 (1)
Weight, g/mol:	204.101111
ΔH_f, kcal/mol:	-72.24
Dipole, Da:	5.93
IP(EA), eV:	-10.6(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-cyclopropyl-2-(methylamino)-4-oxo-1H-pyrimidin-5-yl]acetonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=C(C1=O)C#N)S(=O)(=O)Cl

DOS

IR

Vibrations