Geometry & MOs

Info

ID:

158851

PubChem CID:

57244083

Reduced:

S3O4C23H38 (1)

Stoich.:

A3B4C23D38 (1)

Weight, g/mol:

426.217302

ΔHf, kcal/mol:

-228.7

Dipole, Da:

1.75

IP(EA), eV:

 -8.82(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[(3aR,4R,5R,6aR)-4-[(3S)-3-[3-(2-chloroethyl)cyclopentyl]-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CSC(=C1)C(SCCC(=O)O)SCCC(=O)O

DOS

IR

Vibrations