Geometry & MOs

Info

ID:	185837
PubChem CID:	77357630
Reduced:	N7O8H23C24 (1)
Stoich.:	A7B8C23D24 (1)
Weight, g/mol:	396.07805
ΔH_f, kcal/mol:	-208.77
Dipole, Da:	8.41
IP(EA), eV:	-9.1(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-carboxyoxy-2-oxo-3,9-diazatricyclo[4.3.1.03,10]dec-4-en-5-yl)acetate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)O)(N1C(=O)C(=NC1=O)C2=CC=C(C=C2)N=C(N)N)N(C3=CC=CC=C3)C(=O)C(CC(=O)O)N

DOS

IR

Vibrations