Geometry & MOs

Info

ID:

223821

PubChem CID:

85335621

Reduced:

S2O3N6H28C30 (1)

Stoich.:

A2B3C6D28E30 (1)

Weight, g/mol:

584.363238

ΔHf, kcal/mol:

0.33

Dipole, Da:

8.45

IP(EA), eV:

 -8.13(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-6-methyl-5-(2-methylbutanoyl)-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C=C1)N=C2N(C(=O)C(=C3N(C4=C(S3)C=CC(=C4)OC(=O)NCC)C)S2)CC5=CC=CC=C5)C#N

DOS

IR

Vibrations