Geometry & MOs

Info

ID:

990

PubChem CID:

3628

Reduced:

NO9C29H39 (1)

Stoich.:

AB9C29D39 (1)

Weight, g/mol:

545.262482

ΔHf, kcal/mol:

-362.9

Dipole, Da:

1.47

IP(EA), eV:

 -8.61(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-(4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl) 4-O-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate

Drug info:

PubChemData

Smile

CC(C)(CCCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)O

DOS

IR

Vibrations