Geometry & MOs

Info

ID:	189660
PubChem CID:	77885542
Reduced:	BrO5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	497.089286
ΔH_f, kcal/mol:	-273.77
Dipole, Da:	6.39
IP(EA), eV:	-9.05(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-methyl-4-[(4-nitrophenyl)methoxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

C1C(C(C(C1O)C(=CCCCCBr)O)CCCCCCC(=O)O)O

DOS

IR

Vibrations