Geometry & MOs

Info

ID:

172970

PubChem CID:

75576200

Reduced:

S2N7O9C20H35 (1)

Stoich.:

A2B7C9D20E35 (1)

Weight, g/mol:

604.433904

ΔHf, kcal/mol:

-430.42

Dipole, Da:

8.28

IP(EA), eV:

 -9.09(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,5-dihydroxy-6-[[6-[2-(2-hydroxyethyl)-2-methyl-3-(6-methyl-5-methylideneheptan-2-yl)cyclopentyl]-4a-methyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]oxy]-2-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)NC(CCC(=O)N)C(=O)O)N

DOS

IR

Vibrations