Geometry & MOs

Info

ID:	122096
PubChem CID:	50794153
Reduced:	ClN3O6H18C23 (1)
Stoich.:	AB3C6D18E23 (1)
Weight, g/mol:	461.158685
ΔH_f, kcal/mol:	-118.37
Dipole, Da:	2.98
IP(EA), eV:	-9.35(-1.11)
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 2-methyl-3-(2-phenoxypropanoylamino)benzoate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2O1)COC(=O)C3=CC(=C(C=C3)Cl)NC(=O)COC4=CC=CC=C4

DOS

IR

Vibrations