Geometry & MOs

Info

ID:	222038
PubChem CID:	85293550
Reduced:	ClNO5C27H32 (1)
Stoich.:	ABC5D27E32 (1)
Weight, g/mol:	487.060484
ΔH_f, kcal/mol:	-201.26
Dipole, Da:	3.53
IP(EA), eV:	-9.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 3-chloro-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(COC12CCCCC2)C(=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl

DOS

IR

Vibrations