Geometry & MOs

Info

ID:	417998
PubChem CID:	135103296
Reduced:	ON6C21H28 (1)
Stoich.:	AB6C21D28 (1)
Weight, g/mol:	490.167477
ΔH_f, kcal/mol:	57.55
Dipole, Da:	3.9
IP(EA), eV:	-8.81(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,13S)-11-(1,3-thiazole-4-carbonyl)-8-oxa-11,14,19-triazatetracyclo[19.3.1.12,6.09,13]hexacosa-1(25),2,4,6(26),21,23-hexaene-15,20-dione

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)CC2=CN=C(N=C2)C3=CC=CC=C3OC

DOS

IR

Vibrations