Geometry & MOs

Info

ID:	162953
PubChem CID:	57581002
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	511.117512
ΔH_f, kcal/mol:	-142.82
Dipole, Da:	2.05
IP(EA), eV:	-8.66(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-16-yl) 3-[hydroxy(oxido)amino]benzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OCCO

DOS

IR

Vibrations