Geometry & MOs

Info

ID:	181203
PubChem CID:	76715716
Reduced:	FSN3O7C40H48 (1)
Stoich.:	ABC3D7E40F48 (1)
Weight, g/mol:	440.231122
ΔH_f, kcal/mol:	-289.86
Dipole, Da:	6.82
IP(EA), eV:	-9.15(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-anilino-18-hydroxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC(=O)N5CC6=C(C5)C(=CC=C6)F)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations