Geometry & MOs

Info

ID:	342687
PubChem CID:	127265847
Reduced:	ClOSN3H10C13 (1)
Stoich.:	ABCD3E10F13 (1)
Weight, g/mol:	276.104482
ΔH_f, kcal/mol:	47.88
Dipole, Da:	9.86
IP(EA), eV:	-9.65(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propyl-2-[1-(thiadiazol-4-yl)but-1-en-2-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C(=CC2=CC=C(S2)Cl)C)C#N

DOS

IR

Vibrations