Geometry & MOs

Info

ID:	308159
PubChem CID:	125317201
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	218.986925
ΔH_f, kcal/mol:	-15.43
Dipole, Da:	1.44
IP(EA), eV:	-8.38(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(6-oxo-2-sulfanylidene-5H-pyrimidin-4-yl)acetamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)[C@H]2C(=C(O[C@H]3C2=C(N=N3)C(C)(C)C)N)C#N)OC

DOS

IR

Vibrations