Geometry & MOs

Info

ID:	179151
PubChem CID:	76442295
Reduced:	O2N3H11C14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	394.119858
ΔH_f, kcal/mol:	54.0
Dipole, Da:	7.95
IP(EA), eV:	-9.06(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 3-ethylsulfanyl-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C3C=CCN=C3C(=O)N=N2

DOS

IR

Vibrations