Geometry & MOs

Info

ID:	436024
PubChem CID:	135193403
Reduced:	OSN5C24H25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	393.314398
ΔH_f, kcal/mol:	71.38
Dipole, Da:	4.22
IP(EA), eV:	-7.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,18,20-triazapentacyclo[17.10.0.02,8.09,17.021,29]nonacosa-2(8),9(17),18,21(29)-tetraene

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=NC(=NC3=C2SC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C

DOS

IR

Vibrations