Geometry & MOs

Info

ID:	178724
PubChem CID:	76372951
Reduced:	Cl2N2O4H14C19 (1)
Stoich.:	A2B2C4D14E19 (1)
Weight, g/mol:	493.92998
ΔH_f, kcal/mol:	-111.46
Dipole, Da:	5.32
IP(EA), eV:	-9.62(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,21-dibromo-9,17-dioxa-11,15-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-3(8),4,6,18(23),19,21-hexaene-10,16-dione

Drug info:

PubChemData

Smile

C1CN2C(C3C4=C(C=CC(=C4)Cl)OC(=O)N3C1)C5=C(C=CC(=C5)Cl)OC2=O

DOS

IR

Vibrations