Geometry & MOs

Info

ID:	406737
PubChem CID:	135078494
Reduced:	N5O5C18H19 (1)
Stoich.:	A5B5C18D19 (1)
Weight, g/mol:	471.03671
ΔH_f, kcal/mol:	-138.44
Dipole, Da:	6.35
IP(EA), eV:	-9.35(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (6R,7R)-3-methyl-7-[(2-nitrophenyl)selanylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=NC2=C(NC1=O)N=C(N=C2OCC3=CC=CC=C3)N)O

DOS

IR

Vibrations