Geometry & MOs

Info

ID:

427517

PubChem CID:

135159481

Reduced:

O2S2H38C49 (1)

Stoich.:

A2B2C38D49 (1)

Weight, g/mol:

678.652611

ΔHf, kcal/mol:

149.62

Dipole, Da:

1.69

IP(EA), eV:

 -8.13(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[2-[2-(3,3-dimethylbutoxy)propan-2-yl]-3-[2-(3-methylbutoxy)propan-2-yl]cyclopentyl]-2,5,5,9,9-pentamethyldodec-11-en-2-yl]oxy-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)SC3=C2C(CC=C3)C4=CC5=C(C=C4)C6(C7=C(O5)C=CCC7)C8=C(C=C(C=C8)C9CC=CC1=C9C2=C(S1)CCC=C2)OC1=CC=CC=C61

DOS

IR

Vibrations