Geometry & MOs

Info

ID:	166113
PubChem CID:	74639639
Reduced:	BrClFON6H15C22 (1)
Stoich.:	ABCDE6F15G22 (1)
Weight, g/mol:	430.160082
ΔH_f, kcal/mol:	100.87
Dipole, Da:	4.56
IP(EA), eV:	-8.98(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2C3=C(C4=C(C=CC(=C4)Cl)OC3C5=CC(=C(C=C5)F)Br)N=C6N2NNN6

DOS

IR

Vibrations