Geometry & MOs

Info

ID:	150209
PubChem CID:	53789896
Reduced:	SN6O8C31H38 (1)
Stoich.:	AB6C8D31E38 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-263.92
Dipole, Da:	6.88
IP(EA), eV:	-9.12(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-(4-methylphenyl)-5-prop-1-en-2-yl-1,3-oxazol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N=C(N)N(C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations