Geometry & MOs

Info

ID:	122232
PubChem CID:	50798696
Reduced:	S2N3O3H15C19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	420.125612
ΔH_f, kcal/mol:	12.53
Dipole, Da:	3.99
IP(EA), eV:	-8.82(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2O1)CSC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations