Geometry & MOs

Info

ID:	141219
PubChem CID:	52840840
Reduced:	O3N5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-48.71
Dipole, Da:	0.4
IP(EA), eV:	-8.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylsulfanylethyl)urea

Drug info:

PubChemData

Smile

CCCN(CC1=CC(=O)N2C(=N1)C(=CN2)C(=O)OCC)[C@@H]3CCCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations