Geometry & MOs

Info

ID:	181186
PubChem CID:	76715699
Reduced:	S2N3O5C29H35 (1)
Stoich.:	A2B3C5D29E35 (1)
Weight, g/mol:	584.26865
ΔH_f, kcal/mol:	-138.44
Dipole, Da:	9.1
IP(EA), eV:	-8.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-[(3-fluorophenyl)methyl]-18-isoquinolin-1-yloxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)C2)OC4=NC5=CC=CC=C5S4)CC(=S)N

DOS

IR

Vibrations