Geometry & MOs

Info

ID:	443038
PubChem CID:	135257484
Reduced:	NC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	608.140434
ΔH_f, kcal/mol:	-6.61
Dipole, Da:	2.52
IP(EA), eV:	-7.71(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-[[4-(oxan-4-yl)phenyl]methyl-[(2R)-1-(2,3,4,5,6-pentafluorophenyl)sulfanylazetidine-2-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCC1(CCC2=CC=CC=C2N1CC)C

DOS

IR

Vibrations