Geometry & MOs

Info

ID:	147560
PubChem CID:	53787216
Reduced:	ON3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	442.174001
ΔH_f, kcal/mol:	-2.88
Dipole, Da:	5.42
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[(1R)-1-hydroxyethyl]-13-oxo-5-[2-(prop-2-enoxycarbonylamino)ethoxy]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2(7),3,5-tetraene-3-carboxylic acid

Drug info:

PubChemData

Smile

CCNCCCOC1=CN=CN=C1

DOS

IR

Vibrations