Geometry & MOs

Info

ID:	191122
PubChem CID:	78107270
Reduced:	ON9C20H25 (1)
Stoich.:	AB9C20D25 (1)
Weight, g/mol:	365.100519
ΔH_f, kcal/mol:	62.97
Dipole, Da:	6.01
IP(EA), eV:	-8.8(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-aminobutanoylamino)carbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)NC2=C(N=CC(=C2)NC3CCCCC3N)C(=O)N)N4C=CN=N4

DOS

IR

Vibrations