Geometry & MOs

Info

ID:	188003
PubChem CID:	77653103
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	546.104992
ΔH_f, kcal/mol:	-168.92
Dipole, Da:	5.24
IP(EA), eV:	-9.58(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 3-(chloromethyl)-7-[[2-(3,5-dimethylphenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC(=O)O)C2CCN(C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations