Geometry & MOs

Info

ID:

84318

PubChem CID:

49865722

Reduced:

N3O5C19H21 (1)

Stoich.:

A3B5C19D21 (1)

Weight, g/mol:

480.241293

ΔHf, kcal/mol:

-85.41

Dipole, Da:

5.0

IP(EA), eV:

 -8.41(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,9R,17R)-18-(cyclopropylmethyl)-7-methyl-6-[(E)-2-phenylethenyl]-10-oxa-7,18-diazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C=C(N=N2)C3=CC(=C(C(=C3)OC)OC)OC)O

DOS

IR

Vibrations