Geometry & MOs

Info

ID:

186300

PubChem CID:

77416434

Reduced:

S2N4O11C40H46 (1)

Stoich.:

A2B4C11D40E46 (1)

Weight, g/mol:

394.271924

ΔHf, kcal/mol:

-348.39

Dipole, Da:

8.74

IP(EA), eV:

 -8.42(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-7-[3-(methoxymethyl)-2-oct-1-enyl-5-oxocyclopentyl]-2-methylhept-5-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(CS(=O)C2N1C(=O)C2NC(=O)CC3=CC=CC=C3)COCC4=C(N5C(C(C5=O)NC(=O)CC6=CC=CC=C6)S(=O)C4)C(=O)OC(C)(C)C

DOS

IR

Vibrations