Geometry & MOs

Info

ID:	426147
PubChem CID:	135141431
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	404.00057
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	4.8
IP(EA), eV:	-9.6(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,5S,6S,7S)-3-amino-6-(5-bromo-2-fluorophenyl)-5-(fluoromethyl)-7-methyl-2-thia-4-azabicyclo[3.1.1]hept-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)CC3(C2)CCOCC3)CC(C)(C)COC

DOS

IR

Vibrations