Geometry & MOs

Info

ID:

215132

PubChem CID:

85084204

Reduced:

S4O6N7H27C30 (1)

Stoich.:

A4B6C7D27E30 (1)

Weight, g/mol:

709.434239

ΔHf, kcal/mol:

5.42

Dipole, Da:

2.24

IP(EA), eV:

 -8.93(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CSCON=C(C1=CSC(=N1)N)C(=O)NC2C3COC(=C(N3C2=O)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)CSC6=NN=CS6

DOS

IR

Vibrations