Geometry & MOs

Info

ID:	136723
PubChem CID:	52090025
Reduced:	Cl3N3O3H14C21 (1)
Stoich.:	A3B3C3D14E21 (1)
Weight, g/mol:	427.049047
ΔH_f, kcal/mol:	-57.56
Dipole, Da:	5.4
IP(EA), eV:	-8.82(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CN(C2=O)CC3=CC=C(C=C3)Cl)C(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations