Geometry & MOs

Info

ID:	190733
PubChem CID:	78049723
Reduced:	F2O2N5H17C22 (1)
Stoich.:	A2B2C5D17E22 (1)
Weight, g/mol:	397.196134
ΔH_f, kcal/mol:	-41.85
Dipole, Da:	4.04
IP(EA), eV:	-9.6(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbonyl)amino]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(C2C(=NC1=O)NC(=NC2=O)N3C4=C(C=C(C=C4)F)C(=N3)CC5=CC=CC=C5F)C

DOS

IR

Vibrations