Geometry & MOs

Info

ID:	309945
PubChem CID:	126569174
Reduced:	ON2C19H36 (1)
Stoich.:	AB2C19D36 (1)
Weight, g/mol:	491.168599
ΔH_f, kcal/mol:	-95.43
Dipole, Da:	4.41
IP(EA), eV:	-8.64(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[2-oxo-2-[2-[(2S,5R)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]hydrazinyl]ethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCCCCC/C=C/CCC[C@@](N1)(C)CCCC(=O)N

DOS

IR

Vibrations