Geometry & MOs

Info

ID:	122097
PubChem CID:	50794155
Reduced:	N3O6H23C25 (1)
Stoich.:	A3B6C23D25 (1)
Weight, g/mol:	481.104063
ΔH_f, kcal/mol:	-127.35
Dipole, Da:	7.05
IP(EA), eV:	-9.08(-1.01)
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-(2-methylphenoxy)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2O1)COC(=O)C3=C(C(=CC=C3)NC(=O)C(C)OC4=CC=CC=C4)C

DOS

IR

Vibrations