Geometry & MOs

Info

ID:	422048
PubChem CID:	135117083
Reduced:	OSN4C23H24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	386.206639
ΔH_f, kcal/mol:	29.07
Dipole, Da:	4.36
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxa-1,10,13,18,24,25-hexazatricyclo[21.2.1.06,11]hexacosa-6(11),7,9,23(26),24-pentaene-12,19-dione

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations