Geometry & MOs

Info

ID:

397738

PubChem CID:

135030651

Reduced:

NO6C22H27 (1)

Stoich.:

AB6C22D27 (1)

Weight, g/mol:

552.345089

ΔHf, kcal/mol:

-227.43

Dipole, Da:

5.74

IP(EA), eV:

 -9.35(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (1S,3R,14R,15S)-4,8,8,15,19,19-hexamethyl-11,22-dioxoheptacyclo[10.10.2.01,14.03,12.03,14.04,9.015,20]tetracosane-2,13-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C[C@H](C1=CC=CC=C1)C(=O)C2=CC=CO2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations