Geometry & MOs

Info

ID:

215629

PubChem CID:

85085003

Reduced:

O13C68H76 (1)

Stoich.:

A13B68C76 (1)

Weight, g/mol:

1100.706497

ΔHf, kcal/mol:

-394.9

Dipole, Da:

4.58

IP(EA), eV:

 -8.86(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

bis[5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl] decanedioate

Drug info:

PubChemData

Smile

CC(=O)OC(C(CC1C(C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=C(C=C6)OC)C(C(C7COC(O7)(C)C)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations