Geometry & MOs

Info

ID:	180454
PubChem CID:	76635220
Reduced:	SiO4C30H43 (1)
Stoich.:	AB4C30D43 (1)
Weight, g/mol:	365.048857
ΔH_f, kcal/mol:	-175.9
Dipole, Da:	8.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755480
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(CC(C(C(=O)OO[Si](C1=CC=CC=C1)C2=CC=CC=C2)C(C)(C)C)C(C)(C)C)C=O

DOS

IR

Vibrations