Geometry & MOs

Info

ID:	232386
PubChem CID:	87576109
Reduced:	NS2C20H27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	518.97745
ΔH_f, kcal/mol:	11.21
Dipole, Da:	1.31
IP(EA), eV:	-8.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R)-4-[4-bromo-2-(trifluoromethyl)phenyl]sulfonyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCS.C1=CC=C2C(=C1)C3=C(N2)C(=CC=C3)S

DOS

IR

Vibrations