Geometry & MOs

Info

ID:	138145
PubChem CID:	52317991
Reduced:	ClN3O5H18C21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	427.093498
ΔH_f, kcal/mol:	-143.41
Dipole, Da:	5.04
IP(EA), eV:	-8.69(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-4-(3-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CN2C3=C([C@@H](NC2=O)C4=CC(=CC=C4)Cl)C(=O)OC3

DOS

IR

Vibrations