Geometry & MOs

Info

ID:	43254
PubChem CID:	10320233
Reduced:	NCl2O4H13C22 (1)
Stoich.:	AB2C4D13E22 (1)
Weight, g/mol:	426.113961
ΔH_f, kcal/mol:	-71.55
Dipole, Da:	4.73
IP(EA), eV:	-9.53(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations