Geometry & MOs

Info

ID:

187379

PubChem CID:

77566775

Reduced:

SN5O11C38H59 (1)

Stoich.:

AB5C11D38E59 (1)

Weight, g/mol:

428.295801

ΔHf, kcal/mol:

-480.77

Dipole, Da:

15.48

IP(EA), eV:

 -9.01(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[6-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-7-hydroxy-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]ethyl]pentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O.CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C.O

DOS

IR

Vibrations