Geometry & MOs

Info

ID:

382784

PubChem CID:

134974131

Reduced:

O2N4H23C27 (1)

Stoich.:

A2B4C23D27 (1)

Weight, g/mol:

336.266445

ΔHf, kcal/mol:

74.08

Dipole, Da:

3.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.957894

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3S,4S,7S,9S,10R,13R)-7,10,15,15-tetramethyl-4-propan-2-yl-14-oxatetracyclo[11.1.1.01,9.03,7]pentadecane-4,10-diol

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1C(C2=CC=CC=C2)C3=C(N(N=C3C)C4=CC=CC=C4)[O-])C5=CC=CC=C5

DOS

IR

Vibrations