Geometry & MOs

Info

ID:	160656
PubChem CID:	57389343
Reduced:	O2N5H25C27 (1)
Stoich.:	A2B5C25D27 (1)
Weight, g/mol:	285.055656
ΔH_f, kcal/mol:	46.04
Dipole, Da:	4.7
IP(EA), eV:	-8.53(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6S)-9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-3-one

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=CN=C2N3CCOC4=C(C3)C=C(C=C4)C5=CC6=C(C=C5)N=C(N6)C

DOS

IR

Vibrations