Geometry & MOs

Info

ID:	122095
PubChem CID:	50794057
Reduced:	N3O7H23C25 (1)
Stoich.:	A3B7C23D25 (1)
Weight, g/mol:	467.088413
ΔH_f, kcal/mol:	-163.6
Dipole, Da:	5.47
IP(EA), eV:	-9.11(-0.88)
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-chloro-3-[(2-phenoxyacetyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C(=N2)C=C(O3)C)NC(=O)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations