Geometry & MOs

Info

ID:	181814
PubChem CID:	76798633
Reduced:	ClO4N5C23H28 (1)
Stoich.:	AB4C5D23E28 (1)
Weight, g/mol:	525.110123
ΔH_f, kcal/mol:	-134.67
Dipole, Da:	2.21
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1-pentyl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCN1C2C(CC(=N2)Cl)C(=O)N(C1=O)CCCCN3C(=O)CN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations