Geometry & MOs

Info

ID:	136774
PubChem CID:	52098434
Reduced:	ClS2N4O4H17C20 (1)
Stoich.:	AB2C4D4E17F20 (1)
Weight, g/mol:	477.1536
ΔH_f, kcal/mol:	-18.86
Dipole, Da:	6.09
IP(EA), eV:	-9.03(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methoxy-3-[[(2R)-2-phenoxypropanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl)/C(=O)N=C2S1

DOS

IR

Vibrations