Geometry & MOs

Info

ID:	232866
PubChem CID:	87577304
Reduced:	N3O4H17C21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	546.10594
ΔH_f, kcal/mol:	-65.72
Dipole, Da:	6.32
IP(EA), eV:	-8.64(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-difluoroazetidine-1-carbonyl)-4-[4-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(CC1N3C(=O)C4=CC=CC=C4C3=O)C5=C(N2)C=CC(=C5)C(=O)NO

DOS

IR

Vibrations