Geometry & MOs

Info

ID:	181057
PubChem CID:	76715569
Reduced:	FN2O6C33H35 (1)
Stoich.:	AB2C6D33E35 (1)
Weight, g/mol:	601.245786
ΔH_f, kcal/mol:	-195.92
Dipole, Da:	6.29
IP(EA), eV:	-9.29(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-anilino-2-oxoethyl)sulfonylcarbamoyl]-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] acetate

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CC4=CC(=CC=C4)F)OC5=NC6=CC=CC=C6O5)C(=O)O

DOS

IR

Vibrations