Geometry & MOs

Info

ID:	122233
PubChem CID:	50798702
Reduced:	SO3N4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	474.032017
ΔH_f, kcal/mol:	-11.61
Dipole, Da:	4.13
IP(EA), eV:	-8.72(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorophenyl)-3-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NC2=CC=CC=C2SCC3=CC(=O)N4C(=N3)C=C(O4)C

DOS

IR

Vibrations