Geometry & MOs

Info

ID:	162944
PubChem CID:	57580973
Reduced:	NO6H25C27 (1)
Stoich.:	AB6C25D27 (1)
Weight, g/mol:	478.14501
ΔH_f, kcal/mol:	-150.21
Dipole, Da:	2.86
IP(EA), eV:	-8.52(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-methoxy-5,7-dioxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-16-yl) phenylmethanesulfonate

Drug info:

PubChemData

Smile

COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations