Geometry & MOs

Info

ID:

215359

PubChem CID:

85084598

Reduced:

O13C46H74 (1)

Stoich.:

A13B46C74 (1)

Weight, g/mol:

838.244391

ΔHf, kcal/mol:

-583.94

Dipole, Da:

10.19

IP(EA), eV:

 -8.7(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 2-[2-[1-cyano-3-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-yl]-4-oxo-3-(1-trimethylsilyloxyethyl)azetidin-1-yl]-2-(triphenyl-lambda5-phosphanylidene)acetate

Drug info:

PubChemData

Smile

CCC1CCC2C(C(C(C3(O2)C(=O)CC(C(O3)CC(C)O)C)(CC)O)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C

DOS

IR

Vibrations