Geometry & MOs

Info

ID:

219709

PubChem CID:

85164619

Reduced:

SiN3O7C29H39 (1)

Stoich.:

AB3C7D29E39 (1)

Weight, g/mol:

567.218526

ΔHf, kcal/mol:

-289.63

Dipole, Da:

1.47

IP(EA), eV:

 -9.18(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[[3-(3-carbamoylpyrrolidin-1-yl)-3-oxopropyl]sulfanylmethyl]-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3C(C(C(O3)N4CCC(=O)NC4=O)NOC5CCCO5)O

DOS

IR

Vibrations