Geometry & MOs

Info

ID:	27417
PubChem CID:	821253
Reduced:	ClOSN2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	261.057198
ΔH_f, kcal/mol:	-32.92
Dipole, Da:	3.16
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-(4-methylphenyl)-4-oxo-2-sulfanylidenepyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)N=C(NC2=O)CCCl

DOS

IR

Vibrations