Geometry & MOs

Info

ID:	189616
PubChem CID:	77881859
Reduced:	SiO3C25H41 (1)
Stoich.:	AB3C25D41 (1)
Weight, g/mol:	485.039847
ΔH_f, kcal/mol:	-107.91
Dipole, Da:	3.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.733228
Charge, e:	0

Chem-info

IUPAC name:

disodium;[7-[(2-amino-2-phenylacetyl)amino]-8-oxo-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)CO[Si](C)C)CO

DOS

IR

Vibrations