Geometry & MOs

Info

ID:	120918
PubChem CID:	50750766
Reduced:	SO2N4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	482.129173
ΔH_f, kcal/mol:	10.29
Dipole, Da:	3.9
IP(EA), eV:	-8.5(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-methylphenyl)-3-[2-[(7-oxo-1-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methylsulfanyl]phenyl]urea

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations