Geometry & MOs

Info

ID:	122098
PubChem CID:	50794156
Reduced:	ClN3O6H20C24 (1)
Stoich.:	AB3C6D20E24 (1)
Weight, g/mol:	473.195071
ΔH_f, kcal/mol:	-126.46
Dipole, Da:	3.34
IP(EA), eV:	-9.31(-1.05)
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 3-[(4-tert-butylbenzoyl)amino]-2-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)C(=O)OCC3=CC(=O)N4C(=N3)C=C(O4)C)Cl

DOS

IR

Vibrations