Geometry & MOs

Info

ID:	181005
PubChem CID:	76715464
Reduced:	FSN3O7C38H44 (1)
Stoich.:	ABC3D7E38F44 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-232.27
Dipole, Da:	2.79
IP(EA), eV:	-9.28(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6O5)C(=O)NS(=O)(=O)C7(CC7)C)F

DOS

IR

Vibrations