Geometry & MOs

Info

ID:

162938

PubChem CID:

57580949

Reduced:

NS2O8H25C26 (1)

Stoich.:

AB2C8D25E26 (1)

Weight, g/mol:

381.157623

ΔHf, kcal/mol:

-229.68

Dipole, Da:

3.32

IP(EA), eV:

 -8.53(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(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)oxy]propan-2-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OS(=O)(=O)C6=CC=C(C=C6)S(=O)(=O)C

DOS

IR

Vibrations