Geometry & MOs

Info

ID:	178785
PubChem CID:	76382303
Reduced:	FO3C34H49 (1)
Stoich.:	AB3C34D49 (1)
Weight, g/mol:	466.05619
ΔH_f, kcal/mol:	-216.65
Dipole, Da:	1.88
IP(EA), eV:	-8.62(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-benzamido-3-(2-bromoethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)OC(=O)C(CCCC)F

DOS

IR

Vibrations