Geometry & MOs

Info

ID:	186993
PubChem CID:	77513094
Reduced:	SF2O3N6C23H26 (1)
Stoich.:	AB2C3D6E23F26 (1)
Weight, g/mol:	446.256292
ΔH_f, kcal/mol:	-118.74
Dipole, Da:	2.04
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[[1-oxo-1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-yl]-sulfamoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCNNC(=NC(=O)C)N)C3=CC=CC=C3)OC

DOS

IR

Vibrations