Geometry & MOs

Info

ID:	214559
PubChem CID:	85083191
Reduced:	Si2O5C30H52 (1)
Stoich.:	A2B5C30D52 (1)
Weight, g/mol:	548.117271
ΔH_f, kcal/mol:	-353.66
Dipole, Da:	2.98
IP(EA), eV:	-8.98(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl 3-(chloromethyl)-7-[(2-hydroxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(OCC(C(O1)C2=CC=CC=C2O[Si](C)(C)C(C)(C)C)CC=CCCC(=O)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations