Geometry & MOs

Info

ID:

397652

PubChem CID:

135030529

Reduced:

SN5O5C30H37 (1)

Stoich.:

AB5C5D30E37 (1)

Weight, g/mol:

358.229666

ΔHf, kcal/mol:

-125.24

Dipole, Da:

7.18

IP(EA), eV:

 -8.84(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,1'R,5'S,9S,11R,14S)-9-cyclopropylspiro[16-oxapentacyclo[7.6.1.111,14.02,7.010,15]heptadeca-2,4,6-triene-8,3'-tricyclo[3.2.1.02,4]octane]

Drug info:

PubChemData

Smile

CCN(C)C1=NC2=C(O1)C=CC(=C2)C(=O)N(C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O)CC(C)C

DOS

IR

Vibrations