Geometry & MOs

Info

ID:

179485

PubChem CID:

76489652

Reduced:

S3N9O12H23C28 (1)

Stoich.:

A3B9C12D23E28 (1)

Weight, g/mol:

746.261087

ΔHf, kcal/mol:

-257.44

Dipole, Da:

3.07

IP(EA), eV:

 -9.2(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-4-[2-(prop-2-enoxycarbonylamino)acetyl]sulfanylazetidin-1-yl]-2-(triphenyl-lambda5-phosphanylidene)acetate

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOC(C5=CC(=C(C(=C5)O)O)O)C(=O)O)C6=CSC(=N6)N)SC3)C(=O)O)C(=O)O

DOS

IR

Vibrations