Geometry & MOs

Info

ID:	128168
PubChem CID:	51033434
Reduced:	ClNO3H22C30 (1)
Stoich.:	ABC3D22E30 (1)
Weight, g/mol:	370.169271
ΔH_f, kcal/mol:	-15.03
Dipole, Da:	2.49
IP(EA), eV:	-8.81(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-cyclopropyl-19-fluoro-16-oxo-2,13-diazatetracyclo[9.8.0.02,6.012,17]nonadeca-1(19),11,14,17-tetraene-15-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CN2C3=CC=CC=C3/C(=C(/C4=CC=CC=C4)\C5=CC=C(C=C5)Cl)/C2=O

DOS

IR

Vibrations