Geometry & MOs

Info

ID:	178722
PubChem CID:	76372949
Reduced:	O3N4H18C19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	418.059946
ΔH_f, kcal/mol:	-83.41
Dipole, Da:	7.74
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,21-dichloro-13-hydroxy-9,11,15,17-tetrazapentacyclo[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

C1C(CN2C(C3N1C(=O)NC4=CC=CC=C34)C5=CC=CC=C5NC2=O)O

DOS

IR

Vibrations