Geometry & MOs

Info

ID:	178721
PubChem CID:	76372948
Reduced:	N4O6H18C21 (1)
Stoich.:	A4B6C18D21 (1)
Weight, g/mol:	350.13789
ΔH_f, kcal/mol:	-164.65
Dipole, Da:	4.63
IP(EA), eV:	-8.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-hydroxy-9,11,15,17-tetrazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-3,5,7,18,20,22-hexaene-10,16-dione

Drug info:

PubChemData

Smile

C1CN2C(C3C4=CC5=C(C=C4NC(=O)N3C1)OCO5)C6=CC7=C(C=C6NC2=O)OCO7

DOS

IR

Vibrations